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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H10OS
Molecular Weight 118.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-3-METHYLBUTANAL

SMILES

CC(C)(S)CC=O

InChI

InChIKey=WHGAWTZRCJEVHB-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-5(2,7)3-4-6/h4,7H,3H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C5H10OS
Molecular Weight 118.197
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Aroma extraction dilution analysis of Sauternes wines. Key role of polyfunctional thiols.
2006 Sep 20
Fate of key odorants in Sauternes wines through aging.
2009 Sep 23
Patents

Patents

20040082764
1
20040192900
1
20060088522
1
20070231333
1
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:42:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:42:53 GMT 2023
Record UNII
CNZ006442E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-3-METHYLBUTANAL
Systematic Name English
BUTANAL, 3-MERCAPTO-3-METHYL-
Systematic Name English
3-METHYL-3-SULFANYLBUTANAL
Systematic Name English
Code System Code Type Description
FDA UNII
CNZ006442E
Created by admin on Sat Dec 16 10:42:53 GMT 2023 , Edited by admin on Sat Dec 16 10:42:53 GMT 2023
PRIMARY
PUBCHEM
527441
Created by admin on Sat Dec 16 10:42:53 GMT 2023 , Edited by admin on Sat Dec 16 10:42:53 GMT 2023
PRIMARY
CAS
308805-43-8
Created by admin on Sat Dec 16 10:42:53 GMT 2023 , Edited by admin on Sat Dec 16 10:42:53 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966