U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H17NS2.ClH
Molecular Weight 299.882
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLTHIAMBUTENE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=OBFGNODOJKVYIR-UHFFFAOYSA-N
InChI=1S/C14H17NS2.ClH/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14;/h4-11H,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C14H17NS2
Molecular Weight 263.421
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:56:08 UTC 2023
Edited
by admin
on Sat Dec 16 10:56:08 UTC 2023
Record UNII
ZI2995I73Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLTHIAMBUTENE HYDROCHLORIDE
MI  
Common Name English
3-DIMETHYLAMINO-1,1-BIS(2-THIENYL)-1-BUTENE HYDROCHLORIDE
Systematic Name English
3-BUTEN-2-AMINE, N,N-DIMETHYL-4,4-DI-2-THIENYL-, HYDROCHLORIDE
Systematic Name English
OHTON HYDROCHLORIDE
Brand Name English
ALLYLAMINE, N,N,1-TRIMETHYL-3,3-DI-2-THIENYL-, HYDROCHLORIDE
Systematic Name English
DIMETHYLTHIAMBUTENE HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
FDA UNII
ZI2995I73Y
Created by admin on Sat Dec 16 10:56:08 UTC 2023 , Edited by admin on Sat Dec 16 10:56:08 UTC 2023
PRIMARY
PUBCHEM
22028
Created by admin on Sat Dec 16 10:56:08 UTC 2023 , Edited by admin on Sat Dec 16 10:56:08 UTC 2023
PRIMARY
CAS
5786-77-6
Created by admin on Sat Dec 16 10:56:08 UTC 2023 , Edited by admin on Sat Dec 16 10:56:08 UTC 2023
PRIMARY
MERCK INDEX
m1119
Created by admin on Sat Dec 16 10:56:08 UTC 2023 , Edited by admin on Sat Dec 16 10:56:08 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID20973449
Created by admin on Sat Dec 16 10:56:08 UTC 2023 , Edited by admin on Sat Dec 16 10:56:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY