Famotidine Impurity 34

CAT: 1299-RM-F130434-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-F130434-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

76823-90-0

Synonyms

N- ((4- (((2-cyanoethyl) thio) methyl) thiazol-2-yl) carbamothioyl) benzamide

Molecular Formula

C15H14N4OS3

Molecular Weight

362.48

Target Alternative Name

Famotidine

Product Name Synonym

N- ((4- (((2-cyanoethyl) thio) methyl) thiazol-2-yl) carbamothioyl) benzamide

Chemical Information

N-((4-(((2-cyanoethyl)thio)methyl)thiazol-2-yl)carbamothioyl)benzamide

CAS Number	76823-90-0
PubChem CID	12918380
IUPAC Name	N-[[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
Molecular Formula	C15H14N4OS3
Molecular Weight	362.5
XLogP	3.1
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	459

SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)CSCCC#N

InChI

InChI=1S/C15H14N4OS3/c16-7-4-8-22-9-12-10-23-15(17-12)19-14(21)18-13(20)11-5-2-1-3-6-11/h1-3,5-6,10H,4,8-9H2,(H2,17,18,19,20,21)

InChIKey

NFVFJORFTLHBCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76823-90-0

CID: 12918380

Formula: C15H14N4OS3

MW: 362.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	362.03297460
Monoisotopic Mass	362.03297460
Topological Polar Surface Area	163 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	459
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