Basic information
- CAS
62734-09-2- Standard SMILES
COc1ccnc(CSCCN)c1.Cl.Cl- InChIKey
QPIYOAMUERYOML-UHFFFAOYSA-N- Molecular formula
- C9H16Cl2N2OS
- Average molar mass
- 271.21 g/mol
- Monoisotopic mass
- 270.03603949
Names & identifiers
- Preferred name
- 2-(2-Aminoethylthiomethyl)-4-methoxypyridine dihydrochloride
- IUPAC
- 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]ethanamine;dihydrochloride
Names & synonyms
SCHEMBL11096931QPIYOAMUERYOML-UHFFFAOYSA-NDTXSID1013758732-(2-aminoethylthiomethyl)-4-methoxypyridine dihydrochlorideEthanamine, 2-[[(4-methoxy-2-pyridinyl)methyl]thio]-, hydrochloride (1:2)62734-09-2
Database identifiers
- CAS
62734-09-2- PubChem CID
- 20474232
- DTXSID
DTXSID101375873
Properties
Computed structural properties
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 135
Related reactions
6 records
Compound notes
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