Nifuratel Impurity 6 HCl

CAT: 1596-AR-N01516-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N01516-01Size:10 Units

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CAS Number

951781-95-6

Synonyms

3-methyl-5- ((methylthio) methyl) oxazolidin-2-one hydrochloride

Molecular Formula

C5H10N2O2S. HCl

Molecular Weight

162.21 36.46

API Name

Nifuratel

Chemical Information

Nifuratel Impurity 6 HCl

CAS Number	951781-95-6
PubChem CID	89893930
IUPAC Name	3-amino-5-(methylsulfanylmethyl)-1,3-oxazolidin-2-one;hydrochloride
Molecular Formula	C5H11ClN2O2S
Molecular Weight	198.67
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

CSCC1CN(C(=O)O1)N.Cl

InChI

InChI=1S/C5H10N2O2S.ClH/c1-10-3-4-2-7(6)5(8)9-4;/h4H,2-3,6H2,1H3;1H

InChIKey

CHWPAEUIAMQIJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951781-95-6

CID: 89893930

Formula: C5H11ClN2O2S

MW: 198.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.67
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	198.0229765
Monoisotopic Mass	198.0229765
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-N01522-01	Nifuratel Impurity 12 ((Z) -Nifuratel)
AR-N01511-01	Nifuratel Impurity 1
AR-N01523-01	Nifuratel Impurity 13
AR-N01514-01	Nifuratel Impurity 4
AR-N01515-01	Nifuratel Impurity 5
AR-N01517-01	Nifuratel Impurity 7
AR-N01513-01	Nifuratel Impurity 3
AR-N01509-01	Nitrofurfural Diacetate (Nifuratel Impurity A)
AR-L07207-01	Lidocaine Impurity 6 HCl
AR-I04236-01	Ivabradine Impurity 6 HCl

Catalog	Name
RM-N131101-01	Nifuratel Impurity A
RM-N131140-01	Nifuratel Impurity 40 ((E) -Nifuratel)
RM-N131113-01	Nifuratel Impurity 13 (Homo Nifuratel)
RM-N131136-01	Nifuratel Impurity 36
RM-N131130-01	Nifuratel Impurity 30
RM-N131134-01	Nifuratel Impurity 34
RM-N131108-01	Nifuratel Impurity H
RM-N131125-01	Nifuratel Impurity 25
RM-N131115-01	Nifuratel Impurity 15
RM-N131120-01	Nifuratel Impurity 20