Basic information
- Standard SMILES
Cl.Cl.N=C(N)SCc1cnc2ccccc2c1- InChIKey
HYJNQAFYFHXDIG-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2N3S
- Average molar mass
- 290.2 g/mol
Names & identifiers
- Preferred name
- 2-(Quinol-3-ylmethyl)-isothiourea dihydrochloride
- IUPAC
- quinolin-3-ylmethyl carbamimidothioate;dihydrochloride
Names & synonyms
SCHEMBL10670583HYJNQAFYFHXDIG-UHFFFAOYSA-N2-(quinol-3-ylmethyl)-isothiourea dihydrochloride
Database identifiers
- PubChem CID
- 20135507
Properties
Computed structural properties
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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