4-methoxybenzenecarbothioic S-acid
Basic information
- CAS
6279-44-3- Standard SMILES
COc1ccc(C(=O)S)cc1- InChIKey
YGAPOICUMNPIPF-UHFFFAOYSA-N- Molecular formula
- C8H8O2S
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.02450067
Names & identifiers
- Preferred name
- 4-methoxybenzenecarbothioic S-acid
- IUPAC
- 4-methoxybenzenecarbothioic S-acid
Names & synonyms
NSC11335SCHEMBL6349116SCHEMBL8713041SCHEMBL8713046CHEMBL6199204NSC-11335
Database identifiers
- CAS
6279-44-3- PubChem CID
- 223586
- ChEMBL
CHEMBL6199204- Nikkaji
- J732.753F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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