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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10O2S
Molecular Weight 242.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methoxy-9H-thioxanthen-9-one

SMILES

COC1=C2C(=O)C3=CC=CC=C3SC2=CC=C1

InChI

InChIKey=GDVXCEXUGSELGD-UHFFFAOYSA-N
InChI=1S/C14H10O2S/c1-16-10-6-4-8-12-13(10)14(15)9-5-2-3-7-11(9)17-12/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula C14H10O2S
Molecular Weight 242.293
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
CT9BLH4HR3
Record Status Validated (UNII)
Record Version