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N-Methyl-1-methylthio-2-nitroethylemeamine

CAT: 0926-IM57854-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-IM57854-01Size:100 g
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CAS Number
61832-41-5
Synonyms
(EZ) -N-Methyl-1- (methylsulphanyl) -2-nitroethen-1-amine; Nizatidine impurity B; Ranitidine Hydrochloride impurity K; N-Methyl-1- (methylt hio) -2-nitroethenamine
Smiles
CN/C (=C\[N+] (=O) [O-]) /SC
Molecular Formula
C4H8N2O2S
Molecular Weight
148.18 g/mol
Controlled
No

Chemical Information

N-Methyl-1-(methylthio)-2-nitroethenamine
CAS Number61832-41-5
PubChem CID3035401
IUPAC Name(E)-N-methyl-1-methylsulfanyl-2-nitroethenamine
Molecular FormulaC4H8N2O2S
Molecular Weight148.19
XLogP1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity129
SMILES
CN/C(=C\[N+](=O)[O-])/SC
InChI
InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3+
InChIKey
YQFHPXZGXNYYLD-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-1-(methylthio)-2-nitroethenamine
CAS: 61832-41-5
CID: 3035401
Formula: C4H8N2O2S
MW: 148.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.19
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass148.03064868
Monoisotopic Mass148.03064868
Topological Polar Surface Area83.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
292224-01N-Methyl-1-methylthio-2-nitroethylemeamine
TRC-M323020-500GN-Methyl-1-(methylthio)-2-nitroethenamine
sc-236056N-Methyl-1- (methylthio) -2-nitroethenamine
TRC-M323022-10MGN-Methyl-1-(methylthio)-2-nitroethenamine-d3
sc-482852N-Methyl-1- (methylthio) -2-nitroethenamine-d3
abx184282-01N-Methyl-1-(methylthio)-2-nitroethylen-1-amine
T8612-011-Methyl-2- (Methylthio) iMidazole
MBS3612107-011-Methyl-2-(Methylthio)iMidazole
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