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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22S2
Molecular Weight 302.497
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTANAL DIBENZYL THIOACETAL

SMILES

CCCC(SCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChIKey=UJSZFTYLKHCVNY-UHFFFAOYSA-N
InChI=1S/C18H22S2/c1-2-9-18(19-14-16-10-5-3-6-11-16)20-15-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H22S2
Molecular Weight 302.497
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 00:59:50 GMT 2023
Edited
by admin
on Sat Dec 16 00:59:50 GMT 2023
Record UNII
IYH666B70X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTANAL DIBENZYL THIOACETAL
Systematic Name English
BUTYRALDEHYDE, DIBENZYL MERCAPTAL
Common Name English
1,1'-(BUTANE-1,1-DIYL-BIS(SULFANEDIYLMETHANEDIYL))DIBENZENE
Systematic Name English
FEMA NO. 4589
Code English
1,1-BIS(BENZYLTHIO)BUTANE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION BUTANAL DIBENZYL THIOACETAL
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID30144183
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
PRIMARY
PUBCHEM
71587383
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
PRIMARY
CAS
101780-73-8
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
PRIMARY
FDA UNII
IYH666B70X
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
PRIMARY
JECFA MONOGRAPH
1917
Created by admin on Sat Dec 16 00:59:50 GMT 2023 , Edited by admin on Sat Dec 16 00:59:50 GMT 2023
PRIMARY