Carbonochloridothioic acid, S-(phenylmethyl) ester
Basic information
- CAS
37734-45-5- Standard SMILES
O=C(Cl)SCc1ccccc1- InChIKey
LWUBFVLHBIOKSA-UHFFFAOYSA-N- Molecular formula
- C8H7ClOS
- Average molar mass
- 186.66 g/mol
- Monoisotopic mass
- 185.9906137
Names & identifiers
- Preferred name
- Carbonochloridothioic acid, S-(phenylmethyl) ester
- IUPAC
- S-benzyl chloromethanethioate
Names & synonyms
Carbonochloridothioic acid, S-(phenylmethyl) ester37734-45-5W6ZSB248DVFormic acid, chlorothio-, S-benzyl esterDTXSID9027996J1.585.891ES-BENZYL CHLOROTHIOFORMATECHLORIDOTHIOCARBONIC ACID S-BENZYL ESTER(BENZYLTHIO)CARBONYL CHLORIDERefChem:574552DTXCID607996609-472-8
Show more names
UNII-W6ZSB248DVS-benzyl carbonochloridothioateBenzylthiocarbonylchloridSCHEMBL6790276LWUBFVLHBIOKSA-UHFFFAOYSA-NNS00030282S-(phenylmethyl) estercarbonochloridothioic acidQ27292418
Database identifiers
- CAS
37734-45-5- PubChem CID
- 162273
- DTXSID
DTXSID9027996- UNII
- W6ZSB248DV
- EC Number
- 609-472-8
- Nikkaji
- J1.585.891E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonochloridothioic acid, S-(phenylmethyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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