Protionamide

CAT: 0127-OR911524-03Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR911524-03Size:100 g

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CAS Number

14222-60-7

MDL Number

MFCD00464119

Purity

98%

Smiles

CCCc1cc(ccn1)C(=S)N

Chemical Information

Prothionamide

Prothionamide is a member of pyridines.

CAS Number	14222-60-7
PubChem CID	666418
IUPAC Name	2-propylpyridine-4-carbothioamide
Molecular Formula	C9H12N2S
Molecular Weight	180.27
XLogP	1.5
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CCCC1=NC=CC(=C1)C(=S)N

InChI

InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)

InChIKey

VRDIULHPQTYCLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14222-60-7

CID: 666418

Formula: C9H12N2S

MW: 180.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.27
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	180.07211956
Monoisotopic Mass	180.07211956
Topological Polar Surface Area	71 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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
BUP14079	Prothionamide
OR75539-01	Propionamide
OR73720-01	Propiolamide
PC107204	3- (Pentafluorophenyl) propionamide
BIB6078	Indole-3-propionamide
OR911750-01	3-Phenyl-propionamide
OR1008552-01	(R) -Prolinamide
OR1074422-01	N- (4-Bromophenyl) propionamide
OR1042350-01	N- (2-Aminoethyl) propionamide
OR1003428-01	N- (2-Hydroxyethey) propionamide