Basic information
- CAS
36504-44-6- Standard SMILES
O=C(S)c1ccc(Cl)c(Cl)c1- InChIKey
OVVJBTKDAFOUBY-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2OS
- Average molar mass
- 207.08 g/mol
- Monoisotopic mass
- 205.9359913
Names & identifiers
- Preferred name
- 3,4-dichlorobenzenecarbothioic S-acid
- IUPAC
- 3,4-dichlorobenzenecarbothioic S-acid
Names & synonyms
36504-44-63,4-dichlorobenzenecarbothioic S-acidNSC342034SCHEMBL9585778SCHEMBL9585784DTXSID60319226NSC-3420343,4-Dichlorobenzene-1-carbothioic S-acid
Database identifiers
- CAS
36504-44-6- PubChem CID
- 334902
- DTXSID
DTXSID60319226
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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