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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10S
Molecular Weight 138.23
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-XYLENETHIOL

SMILES

CC1=C(C)C(S)=CC=C1

InChI

InChIKey=NDKJATAIMQKTPM-UHFFFAOYSA-N
InChI=1S/C8H10S/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H10S
Molecular Weight 138.23
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 11:56:35 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:35 GMT 2023
Record UNII
W14R28GZJ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-XYLENETHIOL
Systematic Name English
BENZENETHIOL, 2,3-DIMETHYL-
Systematic Name English
2,3-DIMETHYLBENZENETHIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
87798
Created by admin on Sat Dec 16 11:56:35 GMT 2023 , Edited by admin on Sat Dec 16 11:56:35 GMT 2023
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FDA UNII
W14R28GZJ0
Created by admin on Sat Dec 16 11:56:35 GMT 2023 , Edited by admin on Sat Dec 16 11:56:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-586-2
Created by admin on Sat Dec 16 11:56:35 GMT 2023 , Edited by admin on Sat Dec 16 11:56:35 GMT 2023
PRIMARY
CAS
18800-51-6
Created by admin on Sat Dec 16 11:56:35 GMT 2023 , Edited by admin on Sat Dec 16 11:56:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID9066417
Created by admin on Sat Dec 16 11:56:35 GMT 2023 , Edited by admin on Sat Dec 16 11:56:35 GMT 2023
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