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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12S
Molecular Weight 116.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-1-METHYLTHIO-2-BUTENE

SMILES

CSC\C(C)=C\C

InChI

InChIKey=PBWZEERIWACABP-GQCTYLIASA-N
InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+

HIDE SMILES / InChI

Molecular Formula C6H12S
Molecular Weight 116.224
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:39:34 GMT 2023
Edited
by admin
on Fri Dec 15 20:39:34 GMT 2023
Record UNII
B81KIE20DF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-1-METHYLTHIO-2-BUTENE
FHFI  
Systematic Name English
SULFIDE, METHYL 2-METHYL-2-BUTENYL
Systematic Name English
(E)-2-METHYL-1-METHYLSULFANYLBUT-2-ENE
Systematic Name English
2-BUTENE, 2-METHYL-1-(METHYLTHIO)-
Systematic Name English
FEMA NO. 4173
Code English
2-METHYL-1-METHYLTHIO-2-BUTENE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYL-1-METHYLTHIO-2-BUTENE
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID80160095
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
PRIMARY
PUBCHEM
5362832
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
1670
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
PRIMARY
CAS
137175-32-7
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
PRIMARY
FDA UNII
B81KIE20DF
Created by admin on Fri Dec 15 20:39:34 GMT 2023 , Edited by admin on Fri Dec 15 20:39:34 GMT 2023
PRIMARY