Basic information
- CAS
64037-50-9- Standard SMILES
CC[NH+](C)C(C)C=C(c1cccs1)c1cccs1.[Cl-]- InChIKey
ISXRXBARLXCMSX-UHFFFAOYSA-N- Molecular formula
- C15H20ClNS2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.0725697
Overview
See also: Ethylmethylthiambutene hydrochloride (preferred).
Names & identifiers
- Preferred name
- N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride
- IUPAC
- 4,4-dithiophen-2-ylbut-3-en-2-yl-ethyl-methylazanium chloride
Names & synonyms
1C50 hydrochlorideN-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochlorideEmethibutin hydrochlorideNIH-5145 hydrochlorideEthylmethiambutene hydrochloride3-Ethylmethylamino-1,1-di(2'-thienyl)but-1-ene hydrochlorideN-Ethyl-N,1-dimethyl-3,3-di-2-thienyl-2-propenamine hydrochlorideUNII-KAG7WT018FALLYLAMINE, N,1-DIMETHYL-3,3-DI-2-THIENYL-N-ETHYL-, HYDROCHLORIDE
Database identifiers
- CAS
64037-50-9- PubChem CID
- 46423
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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