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Details

Stereochemistry ACHIRAL
Molecular Formula C7H2Cl3NS
Molecular Weight 238.521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-Trichlorophenyl isothiocyanate

SMILES

ClC1=CC(Cl)=C(N=C=S)C(Cl)=C1

InChI

InChIKey=DSXVZIOQROMOEF-UHFFFAOYSA-N
InChI=1S/C7H2Cl3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

HIDE SMILES / InChI

Molecular Formula C7H2Cl3NS
Molecular Weight 238.521
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 Sat Dec 16 19:49:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:11 GMT 2023
Record UNII
QL8U86ANF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-Trichlorophenyl isothiocyanate
Systematic Name English
Benzene, 1,3,5-trichloro-2-isothiocyanato-
Systematic Name English
1,3,5-Trichloro-2-isothiocyanatobenzene
Systematic Name English
Code System Code Type Description
CAS
22134-07-2
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
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FDA UNII
QL8U86ANF3
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-798-0
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
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EPA CompTox
DTXSID50176668
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
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PUBCHEM
123399
Created by admin on Sat Dec 16 19:49:11 GMT 2023 , Edited by admin on Sat Dec 16 19:49:11 GMT 2023
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