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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4N2S2
Molecular Weight 192.261
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of M-PHENYLENEDIISOTHIOCYANATE

SMILES

S=C=NC1=CC(=CC=C1)N=C=S

InChI

InChIKey=BOLANQNHTGVOMY-UHFFFAOYSA-N
InChI=1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
M-PHENYLENEDIISOTHIOCYANATE
Systematic Name English
NSC-511743
Preferred Name English
1,3-PHENYLENEDIISOTHIOCYANATE
Systematic Name English
ISOTHIOCYANIC ACID, M-PHENYLENE ESTER
Systematic Name English
BENZENE, 1,3-DIISOTHIOCYANATO-
Systematic Name English
M-ISOTHIOCYANATOPHENYL ISOTHIOCYANATE
Systematic Name English
1,3-DIISOTHIOCYANATOBENZENE
Systematic Name English
Code System Code Type Description
NSC
511743
Created by admin on Tue Apr 01 20:26:23 GMT 2025 , Edited by admin on Tue Apr 01 20:26:23 GMT 2025
PRIMARY
CAS
3125-77-7
Created by admin on Tue Apr 01 20:26:23 GMT 2025 , Edited by admin on Tue Apr 01 20:26:23 GMT 2025
PRIMARY
PUBCHEM
18404
Created by admin on Tue Apr 01 20:26:23 GMT 2025 , Edited by admin on Tue Apr 01 20:26:23 GMT 2025
PRIMARY
FDA UNII
86M48KVG07
Created by admin on Tue Apr 01 20:26:23 GMT 2025 , Edited by admin on Tue Apr 01 20:26:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID90185178
Created by admin on Tue Apr 01 20:26:23 GMT 2025 , Edited by admin on Tue Apr 01 20:26:23 GMT 2025
PRIMARY
NIH
NCATS
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