U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NS
Molecular Weight 99.154
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Cyclopropyl isothiocyanate

SMILES

S=C=NC1CC1

InChI

InChIKey=JGFBQFKZKSSODQ-UHFFFAOYSA-N
InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2

HIDE SMILES / InChI

Molecular Formula C4H5NS
Molecular Weight 99.154
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 11:58:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:54 GMT 2023
Record UNII
RCK2DWK2N7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cyclopropyl isothiocyanate
Systematic Name English
Cyclopropane, isothiocyanato-
Systematic Name English
Isothiocyanatocyclopropane
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
260-278-6
Created by admin on Sat Dec 16 11:58:54 GMT 2023 , Edited by admin on Sat Dec 16 11:58:54 GMT 2023
PRIMARY
FDA UNII
RCK2DWK2N7
Created by admin on Sat Dec 16 11:58:54 GMT 2023 , Edited by admin on Sat Dec 16 11:58:54 GMT 2023
PRIMARY
CAS
56601-42-4
Created by admin on Sat Dec 16 11:58:54 GMT 2023 , Edited by admin on Sat Dec 16 11:58:54 GMT 2023
PRIMARY
PUBCHEM
92463
Created by admin on Sat Dec 16 11:58:54 GMT 2023 , Edited by admin on Sat Dec 16 11:58:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID90205168
Created by admin on Sat Dec 16 11:58:54 GMT 2023 , Edited by admin on Sat Dec 16 11:58:54 GMT 2023
PRIMARY