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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NS
Molecular Weight 193.309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ADAMANTYL ISOTHIOCYANATE

SMILES

S=C=NC12CC3CC(CC(C3)C1)C2

InChI

InChIKey=YPKFLUARLJRPQM-UHFFFAOYSA-N
InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C11H15NS
Molecular Weight 193.309
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 12:17:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:43 GMT 2023
Record UNII
V33B5GRD78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADAMANTYL ISOTHIOCYANATE
Common Name English
NSC-529585
Code English
TRICYCLO(3.3.1.1'3,7)DEC-1-YL ISOCYANATE
Systematic Name English
1-ISOTHIOCYANATOADAMANTANE
Systematic Name English
Code System Code Type Description
PUBCHEM
107279
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196040
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY
NSC
529585
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY
CAS
4411-26-1
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY
FDA UNII
V33B5GRD78
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-564-4
Created by admin on Sat Dec 16 12:17:43 GMT 2023 , Edited by admin on Sat Dec 16 12:17:43 GMT 2023
PRIMARY