3-Aminopyridine-2(1H)-thione - CAS 38240-21-0

Catalog:	BB023595
Product Name:	3-Aminopyridine-2(1H)-thione
CAS:	38240-21-0
Synonyms:	3-amino-1H-pyridine-2-thione; 3-amino-1H-pyridine-2-thione

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-1H-pyridine-2-thione
Description:	3-Aminopyridine-2(1H)-thione (CAS# 38240-21-0) is a useful reagent used in the synthesis of new benzothiazinophenoxazine ring systems.
Molecular Weight:	126.18
Molecular Formula:	C5H6N2S
Canonical SMILES:	C1=CNC(=S)C(=C1)N
InChI:	InChI=1S/C5H6N2S/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChI Key:	ADMMJKIQWOJMSK-UHFFFAOYSA-N
Boiling Point:	225.1 °C at 760 mmHg
Density:	1.31 g/cm³
LogP:	1.53370

Publication Number	Title	Priority Date
KR-20210052474-A	Linker molecule capable of reductively cleavable without trace for peptide purification	20180827
TW-201827570-A	Iridium complex compound, composition containing said compound, organic electroluminescent element, display device and lighting device	20161005
DE-102016213398-A1	Organic electroluminescent compounds and organic optoelectronic devices comprising same	20151120
US-10069082-B2	Organic electroluminescent compounds and organic optoelectronic devices comprising the same	20151120
US-2017148996-A1	Organic electroluminescent compounds and organic optoelectronic devices comprising the same	20151120

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Related Functional Groups

Amines and Anilines

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1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[893444-21-8]
2-Amino-3-nitro-6-(trifluoromethyl)pyridine
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3-(2,6-Difluorophenyl)-1-propylamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.02516937
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3