Basic information
- CAS
13509-28-9- Standard SMILES
CSC(=O)Oc1ccccc1- InChIKey
DLYZNVYLULHBQS-UHFFFAOYSA-N- Molecular formula
- C8H8O2S
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.02450067
Names & identifiers
- Preferred name
- S-Methyl O-phenyl carbonothioate
- IUPAC
- phenyl methylsulfanylformate
- English name
- Thiocarbonic acid O-phenyl S-methyl ester
- Molecular formula
- C8H8O2S
- Molecular weight
- 168.21
Names & synonyms
13509-28-9S-methyl O-phenyl carbonothioateRefChem:379560Carbonic acid, thio-, S-methyl O-phenyl esterphenyl methylsulfanylformatephenyl 2-thiapropanoateThiocarbonic acid O-phenyl S-methyl esterSCHEMBL18802112DLYZNVYLULHBQS-UHFFFAOYSA-NDTXSID401303148S-Methyl o-phenyl thiocarbonate #(Methylthio)formic acid phenyl ester
Show more names
Thiocarbonic acid S-methyl O-phenyl esterCarbonothioic acid, S-methyl O-phenyl ester
Database identifiers
- CAS
13509-28-9- PubChem CID
- 554690
- DTXSID
DTXSID401303148- Nikkaji
- J129.341I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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