3-Methylpyridine-2-Carbothioamide

CAT: 0127-OR1026026-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026026-01Size:100 mg

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CAS Number

334017-95-7

Synonyms

3-methylpyridine-2-carbothioamide

Purity

97%

Smiles

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

Chemical Information

3-Methyl-2-pyridinecarbothioamide

CAS Number	334017-95-7
PubChem CID	22494211
IUPAC Name	3-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=C(N=CC=C1)C(=S)N

InChI

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

InChIKey

PEENLLJOQZUCDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334017-95-7

CID: 22494211

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
OR1003079-01	4-Methylpyridine-2-carbothioamide
OR1071623-01	2-Methyltetrahydrofuran-3-carbothioamide
OR1058747-01	2-Aminothiophene-3-carbothioamide
OR29090	3- (phenoxymethyl) thiophene-2-carbothioamide
OR29605	2,3-dichlorobenzene-1-carbothioamide
OR1036960	Isoquinoline-3-carbothioamide
OR80508-01	Pyrimidine-2-carbothioamide
OR1049665-01	Quinoline-3-carbothioamide
OR28672-01	Pyridine-3-carbothioamide
OR1082653	3-Cyclopropyl-2-methylpyridine

Catalog	Name
sc-342944	2-methoxy-6-methylpyridine-3-carbothioamide
SBA24205-01	2-Aminopyridine-3-carbothioamide
RQB83797-01	2-Methoxypyridine-3-carbothioamide
JJB29720-01	3-Aminopyrazine-2-carbothioamide
sc-347196	3-methylthiophene-2-carbothioamide
MCA57447-01	2-Aminoquinoline-3-carbothioamide
SMC12539-01	3-Bromopyridine-2-carbothioamide
ELC14692-01	2-Sulfanylpyridine-3-carbothioamide
TMD06807-01	1,2-Thiazole-3-carbothioamide
EAA72827-01	1,3-Benzoxazole-2-carbothioamide