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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O2S
Molecular Weight 262.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-HEPTYNYLTHIO)-PHENOL ACETATE

SMILES

CCCCC#CCSC1=CC=CC=C1OC(C)=O

InChI

InChIKey=GXMBHQRROXQUJS-UHFFFAOYSA-N
InChI=1S/C15H18O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-5,12H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(2-HEPTYNYLTHIO)-PHENOL ACETATE
Systematic Name English
2-(2-HEPTYNYLTHIO)PHENOL ACETATE
Systematic Name English
(2-HEPT-2-YNYLSULFANYLPHENYL) ETHANOATE
Systematic Name English
APHS
Common Name English
PHENOL, 2-(2-HEPTYN-1-YLTHIO)-, 1-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
GNC4EUY582
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
PUBCHEM
2211
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID40175069
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
CAS
209125-28-0
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 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