Macitentan Impurity 64

CAT: 1299-RM-M010364-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M010364-04Size:100 mg

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CAS Number

72179-85-2

Synonyms

N- (1-Methylethyl) sulfamide; isopropylaminosulfonamide

Molecular Formula

C3H10N2O2S

Molecular Weight

138.19

Target Alternative Name

Macitentan

Product Name Synonym

N- (1-Methylethyl) sulfamide; isopropylaminosulfonamide

Chemical Information

N-(1-Methylethyl)sulfamide

CAS Number	72179-85-2
PubChem CID	13626285
IUPAC Name	2-(sulfamoylamino)propane
Molecular Formula	C3H10N2O2S
Molecular Weight	138.19
XLogP	-0.5
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	143

SMILES

CC(C)NS(=O)(=O)N

InChI

InChI=1S/C3H10N2O2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3,(H2,4,6,7)

InChIKey

ZVNSDZSAOHBAJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72179-85-2

CID: 13626285

Formula: C3H10N2O2S

MW: 138.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.19
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	138.04629874
Monoisotopic Mass	138.04629874
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	143
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