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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NS
Molecular Weight 163.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,6-XYLYL ISOTHIOCYANATE

SMILES

CC1=CC=CC(C)=C1N=C=S

InChI

InChIKey=UULUECCNPPJFBU-UHFFFAOYSA-N
InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9NS
Molecular Weight 163.239
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 12:22:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:19 GMT 2023
Record UNII
TIM0LV0QKN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-XYLYL ISOTHIOCYANATE
Systematic Name English
BENZENE, 2-ISOTHIOCYANATO-1,3-DIMETHYL-
Systematic Name English
2,6-DIMETHYLPHENYL ISOTHIOCYANATE [USP IMPURITY]
Common Name English
XYLAZINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
1-ISOTHIOCYANATO-2,6-DIMETHYLBENZENE
Systematic Name English
NSC-172978
Code English
Code System Code Type Description
EPA CompTox
DTXSID90172826
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
NSC
172978
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-906-0
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
PUBCHEM
87976
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
FDA UNII
TIM0LV0QKN
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
CAS
19241-16-8
Created by admin on Sat Dec 16 12:22:20 GMT 2023 , Edited by admin on Sat Dec 16 12:22:20 GMT 2023
PRIMARY
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP