4-Methylpyridine-2-carbothioamide

CAT: 0127-OR1003079-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003079-01Size:250 mg

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CAS Number

16225-37-9

MDL Number

MFCD09258873

Purity

95%

Smiles

Cc1ccnc(c1)C(N)=S

Chemical Information

4-Methylpyridine-2-carbothioamide

CAS Number	16225-37-9
PubChem CID	15076238
IUPAC Name	4-methylpyridine-2-carbothioamide
Molecular Formula	C7H8N2S
Molecular Weight	152.22
XLogP	1
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

CC1=CC(=NC=C1)C(=S)N

InChI

InChI=1S/C7H8N2S/c1-5-2-3-9-6(4-5)7(8)10/h2-4H,1H3,(H2,8,10)

InChIKey

JWYMGFVHPMVUNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16225-37-9

CID: 15076238

Formula: C7H8N2S

MW: 152.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.22
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.04081944
Monoisotopic Mass	152.04081944
Topological Polar Surface Area	71 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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

Catalog	Name
OR1026026-01	3-Methylpyridine-2-Carbothioamide
OR1010448-01	2-Ethylpyridine-4-Carbothioamide
OR27164	2,6-dichloropyridine-4-carbothioamide
OR928020-01	Quinoline-4-carbothioamide
OR79542-01	Piperidine-4-carbothioamide
OR944576-01	Morpholine-4-carbothioamide
OR1036106-01	2-Cyclohexyl-4-methylpyridine
OR6171-01	4-Methylpyridine-2-carboxaldehyde
PC445002-01	4-Fluoro-2-methylpyridine
OR345019-01	2-Hydroxy-4-methylpyridine

Catalog	Name
sc-342944	2-methoxy-6-methylpyridine-3-carbothioamide
WYB72380-01	2-Methanesulfonylpyridine-4-carbothioamide
KKB27263-01	4-Methylmorpholine-2-carbothioamide
sc-349223A	4-bromothiophene-2-carbothioamide
DNB73473-01	2-Methylmorpholine-4-carbothioamide
UTB45909-01	2-Hydroxypyridine-4-carbothioamide
TDC64119-01	4-Aminopyridine-2-carbothioamide
RG-E200837-01	2-Ethylpyridine-4-Carbothioamide
sc-342590A	2-chloropyridine-4-carbothioamide
sc-342969	2-methoxypyridine-4-carbothioamide