Basic information
- CAS
13915-60-1- Standard SMILES
CCOC(=S)c1ccc(Cl)cc1- InChIKey
ZSRGLQQAHXRPJC-UHFFFAOYSA-N- Molecular formula
- C9H9ClOS
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.0062638
Names & identifiers
- Preferred name
- Benzoic acid, p-chlorothio-, O-ethyl ester
- IUPAC
- O-ethyl 4-chlorobenzenecarbothioate
- English name
- (4-chlorophenyl)-ethoxy-methanethione
- Molecular formula
- C9H9ClOS
- Molecular weight
- 0
Names & synonyms
Benzoic acid, p-chlorothio-, O-ethyl esterEthyl 4-chlorothiobenzoateEthyl 4-chlorothionobenzoatep-Chlorothiobenzoic acid O-ethyl esterBRN 0908246Benzenecarbothioic acid, 4-chloro-, O-ethyl esterDTXSID40160935RefChem:327932DTXCID408342613915-60-1o-ethyl 4-chlorobenzenecarbothioateSCHEMBL9585635
Show more names
(4-chlorophenyl)-ethoxy-methanethionep-Chlorobenzenethiocarboxylic acid O-ethyl ester4-Chlorobenzenethiocarboxylic acid O-ethyl ester
O-Ethyl 4-chlorobenzene-1-carbothioate
Database identifiers
- CAS
13915-60-1- PubChem CID
- 84101
- DTXSID
DTXSID40160935- Nikkaji
- J99.638F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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