Butane-2-sulfonic acid

CAT: 0127-OR1030975-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1030975-01Size:100 mg

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CAS Number

16794-12-0

Purity

95%

Smiles

CC(S(=O)(O)=O)CC

Chemical Information

2-Butanesulfonic acid

CAS Number	16794-12-0
PubChem CID	3014952
IUPAC Name	butane-2-sulfonic acid
Molecular Formula	C4H10O3S
Molecular Weight	138.19
XLogP	0.4
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	141

SMILES

CCC(C)S(=O)(=O)O

InChI

InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)

InChIKey

BRXCDHOLJPJLLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16794-12-0

CID: 3014952

Formula: C4H10O3S

MW: 138.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.19
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	138.03506535
Monoisotopic Mass	138.03506535
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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
JH220632	Butane-1-sulfonic acid
RG-B212017-01	4- (Ethoxysulfonyl) Butane-1-Sulfonic Acid
RG-B181541-01	4- (Bromosulfonyl) Butane-1-Sulfonic Acid
RG-A262390-01	4- (Methoxysulfonyl) Butane-1-Sulfonic Acid
RG-B212018-01	4- (Butoxysulfonyl) Butane-1-Sulfonic Acid
AR-T02363-01	Butane-1-sulfonic acid, sodium salt
JH682677	Prop-2-enoic acid,2- (prop-2-enoylamino) butane-2-sulfonic acid
88496-88-2-01	Butane-2-boronic acid
MBS5758160	Aniline-2-sulfonic acid
442300-01	Benzimidazole 2-Sulfonic Acid