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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NS2.ClH
Molecular Weight 327.936
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLTHIAMBUTENE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=AOBYZQVXPIBGCZ-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H21NS2
Molecular Weight 291.475
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:00:37 UTC 2023
Edited
by admin
on Sat Dec 16 02:00:37 UTC 2023
Record UNII
3L46E90B1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYLTHIAMBUTENE HYDROCHLORIDE
Common Name English
3-BUTEN-2-AMINE, N,N-DIETHYL-4,4-DI-2-THIENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50927490
Created by admin on Sat Dec 16 02:00:37 UTC 2023 , Edited by admin on Sat Dec 16 02:00:37 UTC 2023
PRIMARY
CAS
132-19-4
Created by admin on Sat Dec 16 02:00:37 UTC 2023 , Edited by admin on Sat Dec 16 02:00:37 UTC 2023
PRIMARY
PUBCHEM
8585
Created by admin on Sat Dec 16 02:00:37 UTC 2023 , Edited by admin on Sat Dec 16 02:00:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-050-9
Created by admin on Sat Dec 16 02:00:37 UTC 2023 , Edited by admin on Sat Dec 16 02:00:37 UTC 2023
PRIMARY
FDA UNII
3L46E90B1X
Created by admin on Sat Dec 16 02:00:37 UTC 2023 , Edited by admin on Sat Dec 16 02:00:37 UTC 2023
PRIMARY
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