Basic information
- Standard SMILES
Nc1ccc(Sc2ncccn2)cc1N- InChIKey
MTEVFOCURIZRGH-UHFFFAOYSA-N- Molecular formula
- C10H10N4S
- Average molar mass
- 218.28 g/mol
- Monoisotopic mass
- 218.06261751
Names & identifiers
- Preferred name
- 1,2-Diamino-4-(pyrimidin-2-ylthio)benzene
- IUPAC
- 4-pyrimidin-2-ylsulfanylbenzene-1,2-diamine
Names & synonyms
SCHEMBL11728606MTEVFOCURIZRGH-UHFFFAOYSA-N1,2-diamino-4-(pyrimidin-2-ylthio)benzene
Database identifiers
- PubChem CID
- 21482779
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
3 records
Compound notes
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