Basic information
- Standard SMILES
O=C(O)c1ccccc1Sc1ccc(Cl)cc1- InChIKey
NKMIZDAAUIGVMP-UHFFFAOYSA-N- Molecular formula
- C13H9ClO2S
- Average molar mass
- 264.73 g/mol
- Monoisotopic mass
- 264.00117821
Names & identifiers
- Preferred name
- Benzoic acid, 2-[(4-chlorophenyl)thio]-
- IUPAC
- 2-(4-chlorophenyl)sulfanylbenzoic acid
- English name
- 2-(4-chlorophenylthio)benzoic acid
- Molecular formula
- C13H9ClO2S
- Molecular weight
- 264.73
Names & synonyms
Benzoic acid, 2-[(4-chlorophenyl)thio]-EINECS 229-287-2NSC 139119Benzoic acid, o-((p-chlorophenyl)thio)-Benzoic acid, 2-((4-chlorophenyl)thio)-DTXSID6064375Benzoic acid, o-[(p-chlorophenyl)thio]-RefChem:565368DTXCID00443676469-85-82-(4-chlorophenyl)sulfanylbenzoic acid2-(4-Chlorophenylthio)benzoic acid
Show more names
o-(p-Chlorophenylthio)benzoic acid2-propenoic acid 2-(4-tert-butylphenoxy)ethyl ester
2-((4-Chlorophenyl)thio)benzoic acid2-[(4-Chlorophenyl)thio]benzoic acid2-[(4-chlorophenyl)sulfanyl]benzoic acidNSC139119Oprea1_761496SCHEMBL6781026MFCD008373082-(4'-chlorothiophenoxy)benzoic acid
Database identifiers
- CAS
6469-85-8- PubChem CID
- 80942
- DTXSID
DTXSID6064375- EC Number
- 229-287-2
- Nikkaji
- J31.956B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[(4-chlorophenyl)thio]- (6469-85-8)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[(4-chlorophenyl)thio]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
1 records
Linked notes
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