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Calcium 2-Mercaptoacetate

CAT: 0127-OR1012596-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1012596-01Size:100 g
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CAS Number
814-71-1
Purity
98%
Smiles
O=C([O-])CS.O=C([O-])CS.[Ca+2]

Chemical Information

Calcium Thioglycolate

Based on the available data, the CIR Expert Panel concluded that ... Calcium Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure. Calcium Thioglycolate in depilatories is safe when formulated to be non-irritating under conditions of recommended use.

CAS Number814-71-1
PubChem CID13141
IUPAC Namecalcium bis(2-sulfanylacetate)
Molecular FormulaC4H6CaO4S2
Molecular Weight222.3
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity37
SMILES
C(C(=O)[O-])S.C(C(=O)[O-])S.[Ca+2]
InChI
InChI=1S/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2
InChIKey
CNYFJCCVJNARLE-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Thioglycolate
CAS: 814-71-1
CID: 13141
Formula: C4H6CaO4S2
MW: 222.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass221.9333419
Monoisotopic Mass221.9333419
Topological Polar Surface Area82.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity37.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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