Macitentan Impurity 66

CAT: 1299-RM-M010366-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M010366-03Size:50 mg

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CAS Number

924307-66-4

Synonyms

N-isobutylsulfamide; N- (2-Methylpropyl) sulfamide

Molecular Formula

C4H12N2O2S

Molecular Weight

152.21

Target Alternative Name

Macitentan

Product Name Synonym

N-isobutylsulfamide; N- (2-Methylpropyl) sulfamide

Chemical Information

[(2-Methylpropyl)sulfamoyl]amine

CAS Number	924307-66-4
PubChem CID	53629300
IUPAC Name	2-methyl-1-(sulfamoylamino)propane
Molecular Formula	C4H12N2O2S
Molecular Weight	152.22
XLogP	0
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	156

SMILES

CC(C)CNS(=O)(=O)N

InChI

InChI=1S/C4H12N2O2S/c1-4(2)3-6-9(5,7)8/h4,6H,3H2,1-2H3,(H2,5,7,8)

InChIKey

HUEVLSWRWJJDCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 924307-66-4

CID: 53629300

Formula: C4H12N2O2S

MW: 152.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.22
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	152.06194880
Monoisotopic Mass	152.06194880
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	156
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