Basic information
- Standard SMILES
COc1ccnc(CSc2nc3cscc3n2CO)c1- InChIKey
SMNUMPUTLSYMLG-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2S2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.04491901
Names & identifiers
- Preferred name
- 1-Hydroxymethyl-2-(4-methoxy-2-picolylmercapto)1H-thieno[3,4-d]imidazole
- IUPAC
- [2-[(4-methoxy-2-pyridinyl)methylsulfanyl]thieno[3,4-d]imidazol-3-yl]methanol
Names & synonyms
SCHEMBL9674331SMNUMPUTLSYMLG-UHFFFAOYSA-N1-Hydroxymethyl-2-(4-methoxy-2-picolylmercapto)1H-thieno[3,4-d]imidazole
Database identifiers
- PubChem CID
- 14154331
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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