Basic information
- CAS
135-35-3- Standard SMILES
CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1.Cl- InChIKey
BGBBHUXHUOMKPM-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2N3S
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 331.0676742
Names & identifiers
- Preferred name
- Chlorothen hydrochloride
- IUPAC
- N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
- English name
- Chlorothen hydrochloride
- Molecular formula
- C14H19Cl2N3S
- Molecular weight
- 332.29176
Names & synonyms
Chlorothen hydrochlorideThenchlorThenclor135-35-3QSP83DUZ6UUNII-QSP83DUZ6UNSC 27170NSC-27170Pyridine, 2-((5-chloro-2-thenyl)(2-(dimethylamino)ethyl)amino)-, hydrochlorideN,N-Dimethyl-N'-(2-pyridyl)-N'-(5-chloro-2-thenyl)ethylenediamine hydrochloride1,2-Ethanediamine, N-((5-chloro-2-thienyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-, monohydrochloride2-((5-CHLORO-2-THENYL)(2-(DIMETHYLAMINO)ETHYL)AMINO)PYRIDINE HYDROCHLORIDE
Show more names
1,2-ETHANEDIAMINE, N1-((5-CHLORO-2-THIENYL)METHYL)-N2,N2-DIMETHYL-N1-2-PYRIDINYL-, HYDROCHLORIDE (1:1)RefChem:2001491,2-Ethanediamine, N-((5-chloro-2-thienyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-, monohydrochloride (9CI)SCHEMBL29521748DTXSID50928846NSC27170N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochlorideWLN: T6NJ BN2N1 & 1 & 1-BT5SJ EG & GH
Database identifiers
- CAS
135-35-3- PubChem CID
- 67410
- DTXSID
DTXSID50928846- UNII
- QSP83DUZ6U
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- FDA UNII
- 83 DUZ6U · QSP83DUZ6U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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