Basic information
- CAS
53402-10-1- Standard SMILES
CC12CCC(CC1=S)C2(C)C- InChIKey
AAADKYXUTOBAGS-UHFFFAOYSA-N- Molecular formula
- C10H16S
- Average molar mass
- 168.3 g/mol
- Monoisotopic mass
- 168.09727168
Overview
structure given in first source
Names & identifiers
- Preferred name
- Thiocamphor
- IUPAC
- 1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
- English name
- thiocamphor
- Molecular formula
- C10H16S
- Molecular weight
- 168.3
Names & synonyms
thiocamphor7519-74-67WA22E7HFYDTXSID80864086Bicyclo(2.2.1)heptane-2-thione, 1,7,7-trimethyl-Bicyclo[2.2.1]heptane-2-thione, 1,7,7-trimethyl-RefChem:189430DTXCID708126372-Bornanethione1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione(1R)-(-)-ThiocamphorBicyclo[2.2.1]heptane-2-thione,1,7,7-trimethyl-
Show more names
Bornane-2-thione
1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2-THIONERS-THIOCAMPHORUNII-7WA22E7HFY(+/-)-THIOCAMPHORSCHEMBL4309798AAADKYXUTOBAGS-UHFFFAOYSA-N1,7,7-trimethylnorbornane-2-thioneSBB088206
Database identifiers
- CAS
53402-10-1、7519-74-6- PubChem CID
- 5446
- DTXSID
DTXSID80864086- UNII
- 7WA22E7HFY
- EC Number
- 677-582-3
- Nikkaji
- J100.325I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 115 · 115-119 °C
- Boiling point
- 99 · 99-102 °C(Press: 12 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- FDA UNII
- 7 WA22E7HFY · 7WA22E7HFY
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (97.4%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (97.4%)
Chemistry & industry
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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