Thiambutene hydrochloride

CAT: 0926-FT28198-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-FT28198-01Size:1 mg

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CAS Number

132-19-4

Synonyms

N, N-Diethyl-4,4-di-2-thienyl-3-buten-2-amine hydrochloride; Diethylthiambutene hydrochloride; NIH 4185

MDL Number

MFCD01674495

Smiles

CCN (CC) C (C) C=C (C1=CC=CS1) C2=CC=CS2.Cl

Molecular Formula

C16H22ClNS2

Molecular Weight

327.94 g/mol

Controlled

Yes

Chemical Information

3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (1:1)

CAS Number	132-19-4
PubChem CID	8585
IUPAC Name	N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine;hydrochloride
Molecular Formula	C16H22ClNS2
Molecular Weight	327.9
Topological Polar Surface Area	59.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	281

SMILES

CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2.Cl

InChI

InChI=1S/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H

InChIKey

AOBYZQVXPIBGCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132-19-4

CID: 8585

Formula: C16H22ClNS2

MW: 327.9

Interactive 3D Structure

Loading 3D structure...

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