Sodium cyclohexylmethanesulfinate

CAT: 0127-OR1047374-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047374-01Size:100 mg

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CAS Number

1517068-08-4

MDL Number

MFCD24113349

Purity

95%

Smiles

O=S(CC1CCCCC1)[O-].[Na+]

Chemical Information

Sodium cyclohexylmethanesulfinate

CAS Number	1517068-08-4
PubChem CID	114287173
IUPAC Name	sodium cyclohexylmethanesulfinate
Molecular Formula	C7H13NaO2S
Molecular Weight	184.23
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	124

SMILES

C1CCC(CC1)CS(=O)[O-].[Na+]

InChI

InChI=1S/C7H14O2S.Na/c8-10(9)6-7-4-2-1-3-5-7;/h7H,1-6H2,(H,8,9);/q;+1/p-1

InChIKey

YAYGSSAXWPLYJH-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1517068-08-4

CID: 114287173

Formula: C7H13NaO2S

MW: 184.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.23
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	184.05339511
Monoisotopic Mass	184.05339511
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124
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
IN3250	Sodium
OR1042867-01	Dikegulac sodium
OR4292-01	Sodium cyanoborohydride
OR28836-01	Sodium borohydride
OR1078904-01	Sodium Octanohydroxamate
OR1078862-01	Ozagrel Sodium
OR1078125	Bispyribac Sodium
OR1052121-01	Sodium triphenylsilanolate
OR1042420-01	Sodium phenylmethanesulfonate
BUP12623-01	Brequinar sodium

Catalog	Name
1191110 500	Sodium Metabisulphite (Sodium Disulphite, Sodium Pyrosulphite)
RM-T081600-01	Thiopental Sodium And Sodium Carbonate
21121001-100g	Sodium caprylate- (Sodium octanoate)
GTR19178128-01	Emlenoflast sodium (MCC7840 sodium)
AR-M08542-01	Nadroparin Sodium (Heparin Sodium)
31112-64	Sodium
030180-01	Sodium Metabisulphite (Sodium Disulphite, Sodium Pyrosulphite) 95.0%
85254-01	Cefoperazone Sodium (CFZ, Cefaperazone Sodium)
77969456	Sodium thiomethoxide (Sodium methyl mercaptide)
10878741-01	Sodium bisulfite (Sodium hydrogen sulfite)