S-phenyl furan-2-carbothioate
Basic information
- CAS
17357-38-9- Standard SMILES
O=C(Sc1ccccc1)c1ccco1- InChIKey
XCQROCMQSAUOTM-UHFFFAOYSA-N- Molecular formula
- C11H8O2S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.02450067
Names & identifiers
- Preferred name
- S-phenyl furan-2-carbothioate
- IUPAC
- S-phenyl furan-2-carbothioate
- English name
- Furan-2-carbothioic acid S-phenyl ester
- Molecular weight
- 0
Names & synonyms
S-phenyl furan-2-carbothioate17357-38-92-Furoic acid, thio-, S-phenyl esterS-Phenyl 2-furanthiocarboxylateBRN 0132308Furan-2-carbothioic acid S-phenyl ester4-18-00-04002 (Beilstein Handbook Reference)DTXSID30169634S-Phenyl 2-furancarbothioate2-Furancarbothioic acid S-phenyl esterFuran-2-thiocarboxylic acid S-phenyl ester
Database identifiers
- CAS
17357-38-9- PubChem CID
- 205104
- DTXSID
DTXSID30169634- Nikkaji
- J49.607C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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