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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NS
Molecular Weight 141.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Cyclohexyl isothiocyanate

SMILES

S=C=NC1CCCCC1

InChI

InChIKey=MZSJGCPBOVTKHR-UHFFFAOYSA-N
InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

HIDE SMILES / InChI

Molecular Formula C7H11NS
Molecular Weight 141.234
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 19:16:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:42 GMT 2025
Record UNII
2UF76U4DED
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-60129
Preferred Name English
Cyclohexyl isothiocyanate
Systematic Name English
Cyclohexane, isothiocyanato-
Systematic Name English
Isothiocyanatocyclohexane
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
214-361-9
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY
NSC
60129
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY
PUBCHEM
14289
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY
FDA UNII
2UF76U4DED
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID5061532
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY
CAS
1122-82-3
Created by admin on Tue Apr 01 19:16:42 GMT 2025 , Edited by admin on Tue Apr 01 19:16:42 GMT 2025
PRIMARY