3-Aminopyridine-4-thiol

CAT: 0127-OR1071513-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071513-01Size:50 mg

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CAS Number

89002-13-1

MDL Number

MFCD00661347

Purity

95%

Smiles

SC1=C(N)C=NC=C1

Chemical Information

3-Aminopyridine-4-thiol

CAS Number	89002-13-1
PubChem CID	14662471
IUPAC Name	3-amino-1H-pyridine-4-thione
Molecular Formula	C5H6N2S
Molecular Weight	126.18
XLogP	0.3
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	169

SMILES

C1=CNC=C(C1=S)N

InChI

InChI=1S/C5H6N2S/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)

InChIKey

MODUNSYPGHJXDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89002-13-1

CID: 14662471

Formula: C5H6N2S

MW: 126.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.18
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.02516937
Monoisotopic Mass	126.02516937
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR1004270-01	3-Aminopyridine-2,4-diol
OR1193T-01	4-Aminopyrimidine-2-thiol
OR301208-01	5-Bromo-4-methyl-3-aminopyridine
OR370085-01	3-Bromopyridine-4-thiol

Catalog	Name
PDA00213-01	3-Aminopyridine-4-thiol
435016-01	5-Aminopyridine-2-thiol
BA7624-250	3-Hydroxy-4-aminopyridine
FA17844-01	3-Aminopyridine-4-carboxaldehyde
260426-01	4-Aminopyridine-3-carboxamide
261154-01	3-Aminopyridine-4-carboxamide
sc-471970	4-Ethoxy-3-aminopyridine
sc-277099	4-Aminopyridine-3-carboxaldehyde
sc-267247	4-Aminopyridine-3-methanol
sc-261630A	4-Acetyl-3-aminopyridine