Basic information
- CAS
64148-56-7- Standard SMILES
COC(=O)c1ccc(C(=S)OC)cc1- InChIKey
WXUOBTSFEGKRKY-UHFFFAOYSA-N- Molecular formula
- C10H10O3S
- Average molar mass
- 210.25 g/mol
- Monoisotopic mass
- 210.03506535
Names & identifiers
- Preferred name
- Methyl 4-(methoxycarbonothioyl)benzoate
- IUPAC
- methyl 4-methoxycarbothioylbenzoate
Names & synonyms
Methyl 4-(methoxycarbonothioyl)benzoate64148-56-7DTXSID80313160RefChem:355469DTXCID80264284NSC266599dimethyl thioterephthalateSCHEMBL27907722NSC-266599DS-010436BENZOIC ACID,4-(METHOXYTHIOXOMETHYL)-, METHYL ESTER
Database identifiers
- CAS
64148-56-7- PubChem CID
- 320209
- DTXSID
DTXSID80313160
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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