Isopropyl Sulfamate

CAT: 1299-RG-I191521-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-I191521-01Size:10 mg

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CAS Number

118873-18-0

Synonyms

Isopropyl sulfamate

Molecular Formula

C3H9NO3S

Molecular Weight

139.17

Product Name Synonym

Isopropyl sulfamate

Chemical Information

Isopropyl sulfamate

CAS Number	118873-18-0
PubChem CID	10290835
IUPAC Name	propan-2-yl sulfamate
Molecular Formula	C3H9NO3S
Molecular Weight	139.18
XLogP	-0.2
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	142

SMILES

CC(C)OS(=O)(=O)N

InChI

InChI=1S/C3H9NO3S/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)

InChIKey

ULCGRQKYGXIIIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118873-18-0

CID: 10290835

Formula: C3H9NO3S

MW: 139.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.18
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	139.03031432
Monoisotopic Mass	139.03031432
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	142
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

Catalog	Name
RG-E200874-01	Ethyl Sulfamate
RG-M052042-01	Methyl Sulfamate
RG-I191527-01	Isopropyl Hydrogen Sulfate
RG-I191534-01	Isopropyl Naphthalene-1-Sulfonate
RG-I191535-01	Isopropyl Naphthalene-2-Sulfonate
RG-P181526-01	Isopropyl Propane-1-Sulfonate
RM-Q161811-01	Quinapril Isopropyl Isopropyl Di-Ester
RG-E242672-01	Isopropyl tetradecanoate
RG-E141745-01	Isopropyl Phosphate
RG-I191543-01	Isopropyl Thioamide

Catalog	Name
E3570-45	Estrone 3-O-Sulfamate (Estrone 3-sulfamate, Estrone O-Sulfamate, Estrone Sulfamate)
OR1012289-01	Ammonium Sulfamate
sc-487153	Guanidine sulfamate
AR-L01927-01	Lorcaserin Sulfamate
B00362-01	Barium sulfamate
T68215-01	Octamylamine sulfamate
HY-W201842A	Octamylamine (sulfamate)
sc-474249	Sodium Sulfamate
sc-253657	Tetrabutylammonium sulfamate
sc-272106	Potassium sulfamate