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Details

Stereochemistry ACHIRAL
Molecular Formula C6H7N3OS.ClH
Molecular Weight 205.665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Pyridyl)isothiourea N-oxide hydrochloride

SMILES

Cl.NC(=N)SC1=CC=CC=[N+]1[O-]

InChI

InChIKey=QTHDIGATKRFRKS-UHFFFAOYSA-N
InChI=1S/C6H7N3OS.ClH/c7-6(8)11-5-3-1-2-4-9(5)10;/h1-4H,(H3,7,8);1H

HIDE SMILES / InChI

Molecular Formula C6H7N3OS
Molecular Weight 169.204
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 12:37:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:11 GMT 2023
Record UNII
W67S4LM3FU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-Pyridyl)isothiourea N-oxide hydrochloride
Systematic Name English
Carbamimidothioic acid, 1-oxido-2-pyridinyl ester, hydrochloride (1:1)
Systematic Name English
Carbamimidothioic acid, 1-oxido-2-pyridinyl ester, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
56841686
Created by admin on Sat Dec 16 12:37:11 GMT 2023 , Edited by admin on Sat Dec 16 12:37:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-465-5
Created by admin on Sat Dec 16 12:37:11 GMT 2023 , Edited by admin on Sat Dec 16 12:37:11 GMT 2023
PRIMARY
FDA UNII
W67S4LM3FU
Created by admin on Sat Dec 16 12:37:11 GMT 2023 , Edited by admin on Sat Dec 16 12:37:11 GMT 2023
PRIMARY
CAS
2770-93-6
Created by admin on Sat Dec 16 12:37:11 GMT 2023 , Edited by admin on Sat Dec 16 12:37:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50182067
Created by admin on Sat Dec 16 12:37:11 GMT 2023 , Edited by admin on Sat Dec 16 12:37:11 GMT 2023
PRIMARY