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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14OS
Molecular Weight 182.283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[(4-Methylphenyl)methyl]thio]ethanol

SMILES

CC1=CC=C(CSCCO)C=C1

InChI

InChIKey=BSJMWJZAXPXXHK-UHFFFAOYSA-N
InChI=1S/C10H14OS/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5,11H,6-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H14OS
Molecular Weight 182.283
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 Tue Apr 01 16:43:06 GMT 2025
Edited
by admin
on Tue Apr 01 16:43:06 GMT 2025
Record UNII
Y3K955D6NA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethanol, 2-[[(4-methylphenyl)methyl]thio]-
Preferred Name English
2-[[(4-Methylphenyl)methyl]thio]ethanol
Systematic Name English
Code System Code Type Description
CAS
89040-08-4
Created by admin on Tue Apr 01 16:43:06 GMT 2025 , Edited by admin on Tue Apr 01 16:43:06 GMT 2025
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PUBCHEM
15431839
Created by admin on Tue Apr 01 16:43:06 GMT 2025 , Edited by admin on Tue Apr 01 16:43:06 GMT 2025
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EPA CompTox
DTXSID50572722
Created by admin on Tue Apr 01 16:43:06 GMT 2025 , Edited by admin on Tue Apr 01 16:43:06 GMT 2025
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FDA UNII
Y3K955D6NA
Created by admin on Tue Apr 01 16:43:06 GMT 2025 , Edited by admin on Tue Apr 01 16:43:06 GMT 2025
PRIMARY