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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9N3OS
Molecular Weight 231.274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate

SMILES

CC1=[N+]([O-])C(CSC#N)=NC2=C1C=CC=C2

InChI

InChIKey=HODITGRKQBVCSQ-UHFFFAOYSA-N
InChI=1S/C11H9N3OS/c1-8-9-4-2-3-5-10(9)13-11(14(8)15)6-16-7-12/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H9N3OS
Molecular Weight 231.274
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:49:03 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:03 GMT 2025
Record UNII
KA9ZZT2DAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-50853
Preferred Name English
(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate
Systematic Name English
Thiocyanic acid, (4-methyl-3-oxido-2-quinazolinyl)methyl ester
Systematic Name English
(4-Methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
Systematic Name English
Code System Code Type Description
CAS
6327-41-9
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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EPA CompTox
DTXSID60212662
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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PUBCHEM
493978
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
FDA UNII
KA9ZZT2DAJ
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
PRIMARY
NSC
50853
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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