Basic information
- CAS
884-09-3- Standard SMILES
O=C(Sc1ccccc1)c1ccccc1- InChIKey
VCQYDZJGTXAFRL-UHFFFAOYSA-N- Molecular formula
- C13H10OS
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.04523611
Names & identifiers
- Preferred name
- Benzenecarbothioic acid, S-phenyl ester
- IUPAC
- S-phenyl benzenecarbothioate
- English name
- Benzenecarbothioic acid, S-phenyl ester
- Molecular formula
- C13H10OS
- Molecular weight
- 214.28
Names & synonyms
884-09-3Benzenecarbothioic acid, S-phenyl esterBenzoic acid, thio-, S-phenyl esterDTXSID40237015RefChem:1078387DTXCID40159506S-phenyl benzenecarbothioateS-Phenyl thiobenzoateS-Phenyl benzothioatethiobenzoic acid S-phenyl esterBRN 2047040phenyl phenylthio ketone
Show more names
Phenyl thiobenzoateNSC 100976
NCIOpen2_006737SCHEMBL274958SCHEMBL6969403SCHEMBL11687013VCQYDZJGTXAFRL-UHFFFAOYSA-VCQYDZJGTXAFRL-UHFFFAOYSA-NNSC100976STK701855
Database identifiers
- CAS
884-09-3- PubChem CID
- 97117
- DTXSID
DTXSID40237015- Nikkaji
- J150.399E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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