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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9ClS
Molecular Weight 172.675
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-2,5-dimethylbenzenethiol

SMILES

CC1=CC(S)=C(C)C=C1Cl

InChI

InChIKey=OJYSHGUXHULIBN-UHFFFAOYSA-N
InChI=1S/C8H9ClS/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H9ClS
Molecular Weight 172.675
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 20:09:04 GMT 2023
Edited
by admin
on Sat Dec 16 20:09:04 GMT 2023
Record UNII
8Q828X65NB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-2,5-dimethylbenzenethiol
Systematic Name English
Benzenethiol, 4-chloro-2,5-dimethyl-
Systematic Name English
Code System Code Type Description
CAS
59962-29-7
Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023
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PUBCHEM
108862
Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023
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EPA CompTox
DTXSID90208679
Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023
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FDA UNII
8Q828X65NB
Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023
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ECHA (EC/EINECS)
261-996-2
Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023
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