thiocamphor
bicyclo(2.2.1)heptane-2-thione, 1,7,7-trimethyl-
 
Notes:
None found
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CAS Number: 7519-74-6Picture of molecule3D/inchi
Nikkaji Web: J100.325I
XlogP3-AA: 2.80 (est)
Molecular Weight: 168.30252000
Formula: C10 H16 S
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 209.6 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for thiocamphor usage levels up to:
 not for fragrance use.
 
Recommendation for thiocamphor flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5446
National Institute of Allergy and Infectious Diseases: Data
 4,7,7-trimethylbicyclo[2.2.1]heptane-3-thione
Chemidplus: 0007519746
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References:
 4,7,7-trimethylbicyclo[2.2.1]heptane-3-thione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5446
Pubchem (sid): 135080126
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 bicyclo(2.2.1)heptane-2-thione, 1,7,7-trimethyl-
1,7,7-trimethyl bicyclo(2.2.1)heptane-2-thione
1,7,7-trimethylbicyclo(2.2.1)heptane-2-thione
1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
4,7,7-trimethylbicyclo[2.2.1]heptane-3-thione
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Articles:
PubMed: Broad range of inhibiting action of novel camphor-based compound with anti-hemagglutinin activity against influenza viruses in vitro and in vivo.
PubMed: Conformational landscape and the selectivity of cytochrome P450cam.
PubMed: Bicamphor: a prototypic molecular system to investigate vibrational excitons.
PubMed: Acaricidal activities of bicyclic monoterpene ketones from Artemisia iwayomogi against Dermatophagoides spp.
PubMed: Experimental and calculated CPL spectra and related spectroscopic data of camphor and other simple chiral bicyclic ketones.
PubMed: Molecular Characterization of camphor utilizing bacterial isolates from refinery sludge and detection of target loci-Cytochrome P-450 cam mono oxygenase (cam C gene) by PCR and gene probe.
PubMed: Reaction of carboxylic acids with vinyl ethers under solvent-free conditions using molecular iodine as a catalyst.
PubMed: Reaction of olefins with nitriles under solvent-free conditions using molecular iodine as a catalyst in the presence of water.
PubMed: Comparative analysis of IR and vibrational circular dichroism spectra for a series of camphor-related molecules.
PubMed: 1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(eta(6)-1-methyl-4-{spiro[(1R,2S)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium.
PubMed: Synthesis, characterization and antiproliferative studies of the enantiomers of cis-[(1,2-camphordiamine)dichloro]platinum(II) complexes.
PubMed: Cocrystallization and configurations of myo-inositol-1,2-L-camphor acetals in two crystal structures.
PubMed: A class II aldolase mimic.
PubMed: Diastereoselective protonation on radical anions of electron-deficient alkenes via photoinduced electron transfer.
PubMed: Role of protein and substrate dynamics in catalysis by Pseudomonas putida cytochrome P450cam.
PubMed: Synthesis, crystal structure and initial biological evaluation of the new enantiomerically pure chiral palladium(II) complex trans-bis[endo-(1R)-1,7,7-trimethylbicyclo[2.2.1]-heptan-2-amino]palladium(II)dichloride.
PubMed: Efficient cyclotrimerization of bicyclic vic-bromostannylalkenes promoted by copper(I) thiophen-2-carboxylate.
PubMed: [eta(2)-(E)-But-2-enedinitrile](N,N'-di-phenyl-1,7,7-trimethylbicyclo[2.2.1]-heptane-2,3-diimine-N,N')-palladium(0).
PubMed: Camphor-based alpha-bromo ketones for the asymmetric darzens reaction
PubMed: Multicopy molecular dynamics simulations suggest how to reconcile crystallographic and product formation data for camphor enantiomers bound to cytochrome P-450cam.
PubMed: Organic leachables from polymer-based dental filling materials.
PubMed: Stereochemistry and enantiomeric purity of a novel anxiolytic agent, deramciclane fumarate.
PubMed: Characterization of antisecretory and antiulcer activity of CR 2945, a new potent and selective gastrin/CCK(B) receptor antagonist.
PubMed: Binding free energy calculations for P450cam-substrate complexes.
PubMed: Cytosolic Ca2+ evaluation in rabbit parietal cells: a novel method to screen gastrin receptor antagonists.
PubMed: Mechanisms mediating NG-nitro-L-arginine methyl ester-induced hypophagia in mice.
PubMed: O-[omega-(Dialkylamino)alkyl]oximes of (+)-1,7,7-trimethylbicyclo [2.2.1]heptan-2-one with hypotensive, antiinflammatory, analgesic, local anesthetic and other activities.
PubMed: Design, synthesis and evaluation of substituted triarylnipecotic acid derivatives as GABA uptake inhibitors: identification of a ligand with moderate affinity and selectivity for the cloned human GABA transporter GAT-3.
PubMed: Substrate mobility in thiocamphor-bound cytochrome P450cam: an explanation of the conflict between the observed product profile and the X-ray structure.
PubMed: Predicting the product specificity and coupling of cytochrome P450cam.
PubMed: Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
PubMed: The roles of active site hydrogen bonding in cytochrome P-450cam as revealed by site-directed mutagenesis.
PubMed: Esters of N-(2-hydroxy-1,1-dimethylethyl)-1,7,7-trimethylbicyclo[2.2.1] heptan-2-exo-amine with hypotensive activity.
PubMed: N-Substituted 1,7,7-trimethyl-2-piperidinobicyclo[2.2.1]hept-2-ene 5-carboxamides and 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 3-carboxamides with hypotensive and other activities.
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