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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7ClO3S
Molecular Weight 242.679
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(chloromethyl)-1,1-dioxothiochromen-4-one

SMILES

ClCC1=CS(=O)(=O)C2=CC=CC=C2C1=O

InChI

InChIKey=BDRWMOVNTQHPKN-UHFFFAOYSA-N
InChI=1S/C10H7ClO3S/c11-5-7-6-15(13,14)9-4-2-1-3-8(9)10(7)12/h1-4,6H,5H2

HIDE SMILES / InChI

Molecular Formula C10H7ClO3S
Molecular Weight 242.679
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 13:06:59 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:59 GMT 2023
Record UNII
N6D8A8X665
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(chloromethyl)-1,1-dioxothiochromen-4-one
Systematic Name English
3-(CHLOROMETHYL)THIOCHROMONE 1,1-DIOXIDE
Systematic Name English
NSC-332184
Code English
4H-1-Benzothiopyran-4-one, 3-(chloromethyl)-, 1,1-dioxide
Systematic Name English
Code System Code Type Description
CAS
77694-48-5
Created by admin on Sat Dec 16 13:06:59 GMT 2023 , Edited by admin on Sat Dec 16 13:06:59 GMT 2023
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PUBCHEM
100620
Created by admin on Sat Dec 16 13:06:59 GMT 2023 , Edited by admin on Sat Dec 16 13:06:59 GMT 2023
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NSC
332184
Created by admin on Sat Dec 16 13:06:59 GMT 2023 , Edited by admin on Sat Dec 16 13:06:59 GMT 2023
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EPA CompTox
DTXSID90228317
Created by admin on Sat Dec 16 13:06:59 GMT 2023 , Edited by admin on Sat Dec 16 13:06:59 GMT 2023
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FDA UNII
N6D8A8X665
Created by admin on Sat Dec 16 13:06:59 GMT 2023 , Edited by admin on Sat Dec 16 13:06:59 GMT 2023
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