Sodium 2-hydroxypropane-1-sulfonate

CAT: 0926-BAA56196-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA56196-01Size:50 mg

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CAS Number

1561-96-2

MDL Number

MFCD32069300

Smiles

CC (CS (=O) (=O) O) O

Molecular Formula

C3H8O4S

Molecular Weight

140.16 g/mol

Controlled

Chemical Information

Sodium 2-methyl isethionate

CAS Number	1561-96-2
PubChem CID	23707765
IUPAC Name	sodium 2-hydroxypropane-1-sulfonate
Molecular Formula	C3H7NaO4S
Molecular Weight	162.14
Topological Polar Surface Area	85.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	146

SMILES

CC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C3H8O4S.Na/c1-3(4)2-8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);/q;+1/p-1

InChIKey

UNXCZDNUXJJWHY-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1561-96-2

CID: 23707765

Formula: C3H7NaO4S

MW: 162.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	162.14
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	161.99627416
Monoisotopic Mass	161.99627416
Topological Polar Surface Area	85.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	146
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	2
Compound Is Canonicalized	Yes

Catalog	Name
HBA79221-01	Sodium 1-hydroxypropane-1-sulfonate
CCA55642-01	Sodium 3-allyloxy-2-hydroxypropane-1-sulfonate, 40% aqueous solution
YFA04891-01	Sodium 2-carboxyethane-1-sulfonate
FS184516-01	Sodium 2-bromobenzene sulfonate
KBA39647-01	Sodium 2,3-dihydroxypropane-1-sulfonate
GBA91067-01	Sodium 2- (hydroxymethyl) benzene-1-sulfonate
DCA21100-01	Sodium 2- (2-hydroxyethoxy) ethane-1-sulfonate
KCA15508-01	Sodium 2-amino-2-methylpropane-1-sulfonate
NAA02374-01	Sodium 1-hydroxy-2-methylpropane-1-sulfonate
REA27782-01	Sodium 1-chloroethane-1-sulfonate

Catalog	Name
OR79823	Sodium 3-chloro-2-hydroxypropane-1-sulfonate
OR1014974-01	Sodium 3- (Allyloxy) -2-Hydroxypropane-1-Sulfonate
OR1030355-01	Sodium 3- (Ethyl (3-Methoxyphenyl) Amino) -2-Hydroxypropane-1-Sulfonate
OR1025877-01	Sodium 3-[ (3,5-Dimethoxyphenyl) (Ethyl) Amino]-2-Hydroxypropane-1-Sulfonate
289156-01	Sodium 1-acetylindoline-2-sulfonate
RG-H250444-01	Sodium 2-Hydroxypropane-1,2,3-Tricarboxylate
OR1042015-01	Sodium 2-aminoethane-1-sulfonate
OR1025090-01	Sodium 3-Hydroxypropane-1-Sulphonate
OR1053133-01	Sodium 3-hydroxypropane-1-sulfinate
S5095	Sodium Indoline-2-sulfonate