Methyl 4-hydroxy-2-methoxybenzenecarbodithioate
Basic information
- CAS
62070-80-8- Standard SMILES
COc1cc(O)ccc1C(=S)SC- InChIKey
FZFAKKZFYSCZEJ-UHFFFAOYSA-N- Molecular formula
- C9H10O2S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.0122219
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-2-methoxybenzenecarbodithioate
- IUPAC
- methyl 4-hydroxy-2-methoxybenzenecarbodithioate
Names & synonyms
62070-80-8NSC292256methyl 4-hydroxy-2-methoxybenzenecarbodithioateCHEMBL1975019DTXSID50421029NSC-292256(4Z)-3-Methoxy-4-[(methylsulfanyl)(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
62070-80-8- PubChem CID
- 324995
- DTXSID
DTXSID50421029- ChEMBL
CHEMBL1975019
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
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Related reactions
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Compound notes
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