Sulfamic Acid Methyl Ester

CAT: 1596-AR-S02036-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S02036-02Size:25 Units

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CAS Number

55665-95-7

Synonyms

Methyl sulfamate; (Amidosulfuric Acid Methyl Ester)

Molecular Formula

CH5NO3S

Molecular Weight

111.12

API Name

Sulfamic Acid

Chemical Information

Methyl sulfamate

CAS Number	55665-95-7
PubChem CID	12914626
IUPAC Name	methyl sulfamate
Molecular Formula	CH5NO3S
Molecular Weight	111.12
XLogP	-1
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	107

SMILES

COS(=O)(=O)N

InChI

InChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4)

InChIKey

FIYXUOWXHWJDAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55665-95-7

CID: 12914626

Formula: CH5NO3S

MW: 111.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	111.12
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	110.99901420
Monoisotopic Mass	110.99901420
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	107
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
AR-S02037-01	Sulfamic Acid Ethyl Ester
AR-S10970-01	Tert-Butyl Sulfamic Acid Ester
AR-S02035-01	Sulfamic acid
AR-S02038-01	Sulfamic Acid Isopropyl Este
AR-Q03851-01	Quinagolide Sulfamic Acid
AR-P01067-01	Palbociclib Sulfamic Acid
AR-C01124-01	Camphor Sulfonic Acid Methyl Ester
AR-F09667-01	Nervonic Acid Methyl Ester
AR-C07443-01	Hyodeoxycholic Acid Methyl Ester
AR-B06531-01	Sulfanilic Acid Methyl Ester

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