Piperidine-4-carbothioamide

CAT: 0127-OR79542-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR79542-01Size:100 mg

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CAS Number

112401-09-9

MDL Number

MFCD09055273

Purity

97%

Smiles

NC(C1CCNCC1)=S

Chemical Information

Piperidine-4-carbothioamide

CAS Number	112401-09-9
PubChem CID	28063559
IUPAC Name	piperidine-4-carbothioamide
Molecular Formula	C6H12N2S
Molecular Weight	144.24
XLogP	-0.2
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	108

SMILES

C1CNCCC1C(=S)N

InChI

InChI=1S/C6H12N2S/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

InChIKey

LXOBYAWHAIZPPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112401-09-9

CID: 28063559

Formula: C6H12N2S

MW: 144.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.24
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	144.07211956
Monoisotopic Mass	144.07211956
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
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
OR1074632-01	N- (4- (N, N-Dimethylsulfamoyl) phenyl) -4- (hydroxydiphenylmethyl) piperidine-1-carbothioamide
OR1063020-01	N-Cyclohexyl-4- (1H-imidazol-5-yl) piperidine-1-carbothioamide
OR928020-01	Quinoline-4-carbothioamide
OR944576-01	Morpholine-4-carbothioamide
OR28662	4-Chlorobenzene-1-carbothioamide
OR1010448-01	2-Ethylpyridine-4-Carbothioamide
OR1003079-01	4-Methylpyridine-2-carbothioamide
OR29206-01	4-Methylbenzene-1-carbothioamide
OR79173-01	4- (Piperidin-1-yl) benzene-1-carbothioamide
OR1057239-01	[1,1'-Biphenyl]-4-carbothioamide

Catalog	Name
287477-01	Pyridine-4-carbothioamide
sc-264407	Thiazole-4-carbothioamide
XCA66256-01	Thiomorpholine-4-carbothioamide
NDA89174-01	Pyrimidine-4-carbothioamide
APC26754-01	4-Methoxyoxane-4-carbothioamide
TJB99820-01	4-Hydroxypiperidine-1-carbothioamide
WYB72380-01	2-Methanesulfonylpyridine-4-carbothioamide
KKB27263-01	4-Methylmorpholine-2-carbothioamide
GCA23674-01	4-Sulfamoylbenzene-1-carbothioamide
GBA95222-01	4-Methylpiperidine-1-carbothioamide