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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NS
Molecular Weight 149.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of M-TOLYLISOTHIOCYANATE

SMILES

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

InChI

InChIKey=BDPQUWSFKCFOST-UHFFFAOYSA-N
InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NS
Molecular Weight 149.213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:24:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:24:33 GMT 2025
Record UNII
Q9QG8LTY5U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M-TOLYL ISOTHIOCYANATE
Preferred Name English
M-TOLYLISOTHIOCYANATE
Systematic Name English
3-METHYLPHENYL ISOTHIOCYANATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-677-6
Created by admin on Tue Apr 01 19:24:33 GMT 2025 , Edited by admin on Tue Apr 01 19:24:33 GMT 2025
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EPA CompTox
DTXSID70211146
Created by admin on Tue Apr 01 19:24:33 GMT 2025 , Edited by admin on Tue Apr 01 19:24:33 GMT 2025
PRIMARY
CAS
621-30-7
Created by admin on Tue Apr 01 19:24:33 GMT 2025 , Edited by admin on Tue Apr 01 19:24:33 GMT 2025
PRIMARY
FDA UNII
Q9QG8LTY5U
Created by admin on Tue Apr 01 19:24:33 GMT 2025 , Edited by admin on Tue Apr 01 19:24:33 GMT 2025
PRIMARY
PUBCHEM
69304
Created by admin on Tue Apr 01 19:24:33 GMT 2025 , Edited by admin on Tue Apr 01 19:24:33 GMT 2025
PRIMARY