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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8OS
Molecular Weight 152.214
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(METHYLTHIO)BENZALDEHYDE

SMILES

CSC1=CC=C(C=O)C=C1

InChI

InChIKey=QRVYABWJVXXOTN-UHFFFAOYSA-N
InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C8H8OS
Molecular Weight 152.214
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
(E)-N'-[4-(Methyl-sulfan-yl)benzyl-idene]furan-2-carbohydrazide monohydrate.
2010 Jul 31
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:19 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:19 GMT 2023
Record UNII
1TVQ11BIY8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(METHYLTHIO)BENZALDEHYDE
Systematic Name English
BENZALDEHYDE, 4-(METHYLTHIO)-
Systematic Name English
P-(METHYLTHIO)BENZALDEHYDE
Common Name English
4-(METHYLMERCAPTO)BENZALDEHYDE
Systematic Name English
METHYL 4-FORMYLPHENYL THIOETHER
Systematic Name English
4-METHYLSULFANYLBENZALDEHYDE
Systematic Name English
4-METHANETHIOBENZALDEHYDE
Systematic Name English
4-METHANESULFANYLBENZALDEHYDE
Systematic Name English
BENZALDEHYDE, P-(METHYLTHIO)-
Common Name English
P-METHYLTHIOBENZALDEHYDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID0033047
Created by admin on Sat Dec 16 08:09:19 GMT 2023 , Edited by admin on Sat Dec 16 08:09:19 GMT 2023
PRIMARY
PUBCHEM
76985
Created by admin on Sat Dec 16 08:09:19 GMT 2023 , Edited by admin on Sat Dec 16 08:09:19 GMT 2023
PRIMARY
CAS
3446-89-7
Created by admin on Sat Dec 16 08:09:19 GMT 2023 , Edited by admin on Sat Dec 16 08:09:19 GMT 2023
PRIMARY
FDA UNII
1TVQ11BIY8
Created by admin on Sat Dec 16 08:09:19 GMT 2023 , Edited by admin on Sat Dec 16 08:09:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-365-7
Created by admin on Sat Dec 16 08:09:19 GMT 2023 , Edited by admin on Sat Dec 16 08:09:19 GMT 2023
PRIMARY