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Details

Stereochemistry RACEMIC
Molecular Formula C9H16O3S
Molecular Weight 204.287
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of S-(1-Methylpropyl) 4-(formyloxy)butanethioate

SMILES

CCC(C)SC(=O)CCCOC=O

InChI

InChIKey=FIBZXGHZYXSUIA-UHFFFAOYSA-N
InChI=1S/C9H16O3S/c1-3-8(2)13-9(11)5-4-6-12-7-10/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H16O3S
Molecular Weight 204.287
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:32:39 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:39 GMT 2023
Record UNII
N2JFZ86KFZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(1-Methylpropyl) 4-(formyloxy)butanethioate
Systematic Name English
Butanethioic acid, 4-(formyloxy)-, S-(1-methylpropyl) ester
Systematic Name English
FEMA NO. 5022
Code English
S-Butan-2-yl 4-(formyloxy)butanethioate
Common Name English
Code System Code Type Description
FDA UNII
N2JFZ86KFZ
Created by admin on Sat Dec 16 19:32:39 GMT 2023 , Edited by admin on Sat Dec 16 19:32:39 GMT 2023
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CAS
2775350-67-7
Created by admin on Sat Dec 16 19:32:39 GMT 2023 , Edited by admin on Sat Dec 16 19:32:39 GMT 2023
PRIMARY
PUBCHEM
167430712
Created by admin on Sat Dec 16 19:32:39 GMT 2023 , Edited by admin on Sat Dec 16 19:32:39 GMT 2023
PRIMARY