Pentyl sulfamate

CAT: 0024-sc-477674Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477674Size:100 mg

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CAS Number

637772-35-1

Chemical Information

Pentyl sulfamate

CAS Number	637772-35-1
PubChem CID	20216502
IUPAC Name	pentyl sulfamate
Molecular Formula	C5H13NO3S
Molecular Weight	167.23
XLogP	0.8
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

CCCCCOS(=O)(=O)N

InChI

InChI=1S/C5H13NO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)

InChIKey

VAINZAIPFWMLRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 637772-35-1

CID: 20216502

Formula: C5H13NO3S

MW: 167.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.23
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	167.06161445
Monoisotopic Mass	167.06161445
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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
sc-478873	N-Pentyl 3-Pentyl Phthalate
sc-487153	Guanidine sulfamate
sc-474249	Sodium Sulfamate
sc-253657	Tetrabutylammonium sulfamate
sc-202949	Ammonium Sulfamate
sc-272106	Potassium sulfamate
sc-202949A	Ammonium Sulfamate
sc-202949B	Ammonium Sulfamate
sc-478680	N-Pentyl 3-Pentyl Phthalate-d4
sc-212534	Pentyl Methanethiosulfonate

Catalog	Name
P284600	Pentyl sulfamate
E3570-45	Estrone 3-O-Sulfamate (Estrone 3-sulfamate, Estrone O-Sulfamate, Estrone Sulfamate)
OR1012289-01	Ammonium Sulfamate
AR-L01927-01	Lorcaserin Sulfamate
T68215-01	Octamylamine sulfamate
HY-W201842A	Octamylamine (sulfamate)
RG-I191521-01	Isopropyl Sulfamate
RG-E200874-01	Ethyl Sulfamate
RG-M052042-01	Methyl Sulfamate
B00362-01	Barium sulfamate