AG002IWY

207233-91-8 | Dl-2,3-dimercapto-1-propanesulfonic acid sodium salt monohydrate

AG002IWY

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CAS Number	207233-91-8
Catalog Number	AG002IWY(AGN-PC-04778W)
Chemical Name	Dl-2,3-dimercapto-1-propanesulfonic acid sodium salt monohydrate
EC Number	606-614-0
IUPAC Name	sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate
InChI	InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
InChI Key	XMUHNMQFDVIWGU-UHFFFAOYSA-M
MDL Number	MFCD00149543
Molecular Formula	C3H9NaO4S3
Molecular Weight	228.2859
SMILES	SCC(S)CS(=O)([O-])=O.[H]O[H].[Na+]
Synonyms	1-Sodium Sulfonate, 2,3-Dimercaptopropane, 2,3 Dimercapto 1 propanesulfonic Acid, 2,3 Dimercaptopropane 1 Sodium Sulfonate, 2,3 Dimercaptopropane 1 sulfonate Sodium, 2,3 Dimercaptopropanesulfonic Acid, 2,3-Dimercapto-1-propanesulfonic Acid, 2,3-Dimercaptopropane 1-Sodium Sulfonate, 2,3-Dimercaptopropane Sulfonate, Sodium, 2,3-Dimercaptopropane-1-sulfonate Sodium, 2,3-Dimercaptopropanesulfonic Acid, 2,3-Dithiopropanesulfate, Sodium, Dimaval, DMPS, DMPS Heyl, DMPS-Heyl, Mercuval, Sodium 2,3-Dimercaptopropane Sulfonate, Sodium 2,3-Dithiopropanesulfate, Unithiol, Unitiol, 207233-91-8, Sodium 2,3-dimercaptopropanesulfonate monohydrate, Sodium 2,3-dimercaptopropane-1-sulfonate hydrate, MFCD00149543, DL-2,3-Dimercapto-1-propanesulfonic acid sodium salt monohydrate, NCGC00166409-01, 2,3-Dimercapto-1-propanesulfonic acid sodium salt monohydrate, Sodium 2,3-dimercaptopropanesulfonate hydrate, DMPS, J-200116, Unitiol monohydrate, Unithiolum monohydrate, C3H9NaO4S3, DSSTox_CID_26607, DSSTox_RID_81762, DSSTox_GSID_46607, KSC491E7D, SCHEMBL1200081, CHEMBL1569746, DTXSID9046607, CTK3J1271, 4076-02-2 (anhydr.), KS-00000Y0F, ZX-AT019229, Tox21_112418, OR3132, AKOS015901919, NCGC00166409-02, RT-002872, CAS-207233-91-8, FT-0689249, sodium 2,3-disulfanylpropane-1-sulfonate hydrate, Sodium DL-2,3-dithiopropanesulfonate monohydrate, Sodium 2,3-dimercapto-1-propanesulfonate n-hydrate, I14-14239, 2,3-Dimercaptopropanesulfonic acid sodium salt monohydrate, 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, hydrate (1:1:1), Unithiol, ACN-057415, V0097, 2,3-Dimercapto-1-propanesulfonic acid, sodium salt monohydrate, UNITIOLUM(DL-2,3-Dimercapto-1-propanesulfonicacid,sodium salt monohydrate ), 4076-02-2,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.956g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	228.271g/mol
Monoisotopic Mass	227.956g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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