Sodium propane-1-sulfinate

CAT: 0926-PBA16562-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-PBA16562-01Size:100 mg

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CAS Number

39165-62-3

MDL Number

MFCD09878098

Smiles

CCCS (=O) [O-].[Na+]

Molecular Formula

C3H7NaO2S

Molecular Weight

130.14 g/mol

Controlled

Chemical Information

Sodium propane-1-sulfinate

CAS Number	39165-62-3
PubChem CID	23706191
IUPAC Name	sodium propane-1-sulfinate
Molecular Formula	C3H7NaO2S
Molecular Weight	130.14
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

CCCS(=O)[O-].[Na+]

InChI

InChI=1S/C3H8O2S.Na/c1-2-3-6(4)5;/h2-3H2,1H3,(H,4,5);/q;+1/p-1

InChIKey

DJSGLRVJPLXKRB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 39165-62-3

CID: 23706191

Formula: C3H7NaO2S

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.00644492
Monoisotopic Mass	130.00644492
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56.9
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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PCA32613-01	Sodium naphthalene-1-sulfinate
ZAA76850-01	Sodium but-3-ene-1-sulfinate
JBA17608	Sodium 4-bromobenzene-1-sulfinate
QAA94637-01	Sodium 3-chlorobenzene-1-sulfinate
QAA89838-01	Sodium 3-methylbenzene-1-sulfinate
PDA52066-01	Sodium 4-ethylbenzene-1-sulfinate
GAA46250-01	Sodium 4-methoxybenzene-1-sulfinate
VDA09108-01	Sodium 2-phenylethane-1-sulfinate
CFA15966-01	Sodium 2-fluorobenzene-1-sulfinate

Catalog	Name
OR82508-01	Sodium naphthalene-1-sulfinate
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OR1075212-01	Sodium 2-methoxybenzene-1-sulfinate
OR1014996-01	Sodium 4-Phenylbenzene-1-Sulfinate
OR91852-01	Sodium 4-bromobenzene-1-sulfinate
OR1053842-01	Sodium 4-ethylbenzene-1-sulfinate
OR1030855-01	Sodium 4-Methoxybenzene-1-Sulfinate
OR1014986	Sodium 4-Acetylbenzene-1-Sulfinate
OR1049703-01	Sodium 4-ethoxybenzene-1-sulfinate