Benzenecarbothioic acid, 1,1'-anhydrosulfide
Completing data — refresh the page later to see the latest
Basic information
- CAS
1850-15-3- Standard SMILES
O=C(SC(=O)c1ccccc1)c1ccccc1- InChIKey
KIHBJERLDDVXHD-UHFFFAOYSA-N- Molecular formula
- C14H10O2S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.04015073
Names & identifiers
- Preferred name
- Benzenecarbothioic acid, 1,1'-anhydrosulfide
- IUPAC
- S-benzoyl benzenecarbothioate
- English name
- Dibenzoic thioanhydride
- Molecular formula
- C14H10O2S
- Molecular weight
- 242.29
Names & synonyms
Dibenzoyl sulfide1850-15-3Benzenecarbothioic acid, anhydrosulfideBENZOIC ACID, THIO-, ANHYDROSULFIDEDTXSID30171696BENZENECARBOTHIOIC ACID, 1,1'-ANHYDROSULFIDERefChem:1078385DTXCID7094187Benzoyl sulfideDibenzoic thioanhydrideS-benzoyl benzenecarbothioateBenzoic thioanhydride
Show more names
Thiobis(phenylmethanone)
BR7STZ7YMKNSC-41899Thiolbenzoic anhydrideNSC 41899BRN 2050505DibenzoylsulfidAI3-16814Benzenecarbothioic acid, anhydrosulfide [Czech]
Database identifiers
- CAS
1850-15-3- PubChem CID
- 15810
- DTXSID
DTXSID30171696- UNII
- BR7STZ7YMK
- Nikkaji
- J80.329D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 393.2 · 393.2±25.0 °C(Predicted)
- Density
- 1.27 · 1.27-1.28 g/cm3
- FDA UNII
- 7 STZ7YMK · BR7STZ7YMK
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…