Basic information
- CAS
132-19-4- Standard SMILES
CCN(CC)C(C)C=C(c1cccs1)c1cccs1.Cl- InChIKey
AOBYZQVXPIBGCZ-UHFFFAOYSA-N- Molecular formula
- C16H22ClNS2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.0882197
Names & identifiers
- Preferred name
- 3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (1:1)
- IUPAC
- N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine;hydrochloride
Names & synonyms
Diethylthiambutene hydrochloride132-19-43L46E90B1X3-BUTEN-2-AMINE, N,N-DIETHYL-4,4-DI-2-THIENYL-, HYDROCHLORIDE (1:1)RefChem:911212205-050-9G535UTG8JNThiambutene hydrochlorideNIH 4185Themalon hydrochlorideDi(ethyl)(1-methyl-3,3-di(thien-2-yl)allyl)ammonium chlorideDiethibutin hydrochloride
Show more names
Thiambutene HClEINECS 205-050-9UNII-3L46E90B1X3-Diethylamino-1,1-di(2'-thienyl)but-1-ene hydrochlorideDTXSID50927490AOBYZQVXPIBGCZ-UHFFFAOYSA-N3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochlorideN,N-Diethyl-1-methyl-3,3-di-2-thienylallylamine hydrochloride
Database identifiers
- CAS
132-19-4- PubChem CID
- 8585
- DTXSID
DTXSID50927490- UNII
- 3L46E90B1X
- EC Number
- 205-050-9
Properties
Computed structural properties
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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