3-Bromopropane-1-sulfonamide

CAT: 0127-OR1070755-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070755-01Size:50 mg

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CAS Number

88496-95-1

MDL Number

MFCD19382021

Purity

95%

Smiles

O=S(CCCBr)(N)=O

Chemical Information

3-Bromopropane-1-sulfonamide

CAS Number	88496-95-1
PubChem CID	20324726
IUPAC Name	3-bromopropane-1-sulfonamide
Molecular Formula	C3H8BrNO2S
Molecular Weight	202.07
XLogP	0
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	136

SMILES

C(CS(=O)(=O)N)CBr

InChI

InChI=1S/C3H8BrNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)

InChIKey

FYOYUUWBYQOIKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88496-95-1

CID: 20324726

Formula: C3H8BrNO2S

MW: 202.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.07
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.94591
Monoisotopic Mass	200.94591
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	136
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
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Catalog	Name
NDA49695-01	3-Bromopropane-1-sulfonamide
B267895	1-Benzyloxy-3-bromopropane
TRC-B687135-100G	1-Bromopropane
JH917275	1-Azido-3-Bromopropane
158564	1,1- (Ethylenedioxy) -3-bromopropane
TRC-E678630-5G	1,1-(Ethylenedioxy)-3-bromopropane
CS-T-49904	1-Bromopropane-3,3,3 D3
409428-01	1-Bromopropane-3,3,3-d3
409426-01	1-Bromopropane discontinued
sc-287104	1-Bromopropane-d7