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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12S2
Molecular Weight 148.289
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments MM2 minimum energy of E and Z are 1.7579 and 2.1016 kcal/mol

SHOW SMILES / InChI
Structure of METHYL 3-METHYL-1-BUTENYL DISULFIDE

SMILES

CSSC=CC(C)C

InChI

InChIKey=NNYHMALQRVQTNK-SNAWJCMRSA-N
InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h4-6H,1-3H3/b5-4+

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 3-METHYL-1-BUTENYL DISULFIDE
FHFI  
Systematic Name English
FEMA NO. 3865
Code English
METHYL 3-METHYL-1-BUTENYL DISULFIDE [FHFI]
Common Name English
DISULFIDE, METHYL 3-METHYL-1-BUTENYL
Systematic Name English
Code System Code Type Description
FDA UNII
U10N85EV9D
Created by admin on Sat Dec 16 00:41:56 GMT 2023 , Edited by admin on Sat Dec 16 00:41:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
483
Created by admin on Sat Dec 16 00:41:56 GMT 2023 , Edited by admin on Sat Dec 16 00:41:56 GMT 2023
PRIMARY
CAS
233666-09-6
Created by admin on Sat Dec 16 00:41:56 GMT 2023 , Edited by admin on Sat Dec 16 00:41:56 GMT 2023
PRIMARY
PUBCHEM
57376046
Created by admin on Sat Dec 16 00:41:56 GMT 2023 , Edited by admin on Sat Dec 16 00:41:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID80946038
Created by admin on Sat Dec 16 00:41:56 GMT 2023 , Edited by admin on Sat Dec 16 00:41:56 GMT 2023
PRIMARY