AG003OOK

5793-98-6 | Calcium thioglycolate trihydrate

AG003OOK

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CAS Number	5793-98-6
Catalog Number	AG003OOK(AGN-PC-0SOOI4)
Chemical Name	Calcium thioglycolate trihydrate
EC Number	613-757-2
IUPAC Name	calcium;2-sulfanylacetate;trihydrate
InChI	InChI=1S/2C2H4O2S.Ca.3H2O/c2*3-2(4)1-5;;;;/h2*5H,1H2,(H,3,4);;3*1H2/q;;+2;;;/p-2
InChI Key	JIPSBNMXUNFKPA-UHFFFAOYSA-L
MDL Number	MFCD00150707
Molecular Formula	C4H12CaO7S2
Molecular Weight	276.3419
SMILES	SCC([O-])=O.SCC([O-])=O.[H]O[H].[H]O[H].[H]O[H].[Ca+2]
UNII	F376WF95N7
Synonyms	Calcium thioglycolate trihydrate, 5793-98-6, UNII-F376WF95N7, F376WF95N7, Mercaptoacetic acid calcium salt trihydrate, 65208-41-5, Calcium mercaptoacetate trihydrate, Calcium 2-sulfanylacetate Trihydrate, CALCIUM THIOGLYCOLLATE TRIHYDRATE, AC1MC1KZ, ACMC-209m1f, Acetic acid, mercapto-, calcium salt (2:1), trihydrate, CTK8B1949, ANW-32833, AKOS015855472, TR-020187, Calciumthioglycolate trihydrate, CID2734636, Mercaptoacetic acid calcium salt trihydrate, 98% 10g, 814-71-1,

Complexity	37.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	276.331g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	0
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

Lot Number