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

Details

Stereochemistry RACEMIC
Molecular Formula C12H19NS2.ClH
Molecular Weight 277.877
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS-TOM HYDROCHLORIDE

SMILES

Cl.CSC1=CC(CC(C)N)=C(SC)C=C1C

InChI

InChIKey=MWEXNLRJBFQSIB-UHFFFAOYSA-N
InChI=1S/C12H19NS2.ClH/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3;/h5,7,9H,6,13H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C12H19NS2
Molecular Weight 241.416
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 19:01:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:11 GMT 2023
Record UNII
ECB388B2HE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS-TOM HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, .ALPHA.,4-DIMETHYL-2,5-BIS(METHYLTHIO)-, HYDROCHLORIDE
Systematic Name English
BENZENEETHANAMINE, .ALPHA.,4-DIMETHYL-2,5-BIS(METHYLTHIO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
84910-94-1
Created by admin on Sat Dec 16 19:01:11 GMT 2023 , Edited by admin on Sat Dec 16 19:01:11 GMT 2023
PRIMARY
PUBCHEM
15915354
Created by admin on Sat Dec 16 19:01:11 GMT 2023 , Edited by admin on Sat Dec 16 19:01:11 GMT 2023
PRIMARY
FDA UNII
ECB388B2HE
Created by admin on Sat Dec 16 19:01:11 GMT 2023 , Edited by admin on Sat Dec 16 19:01:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE