Calcium Thioglycolate Trihydrate

CAT: 0127-IN12067-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-IN12067-01Size:25 g

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CAS Number

5793-98-6

Synonyms

Calcium;2-sulfanylacetate; trihydrate

Purity

98%

Smiles

C(C(=O)[O-])S.C(C(=O)[O-])S.O.O.O.[Ca+2]

Chemical Information

Calcium thioglycolate trihydrate

CAS Number	5793-98-6
PubChem CID	2734636
IUPAC Name	calcium;bis(2-sulfanylacetate);trihydrate
Molecular Formula	C4H12CaO7S2
Molecular Weight	276.3
Topological Polar Surface Area	85.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	37

SMILES

C(C(=O)[O-])S.C(C(=O)[O-])S.O.O.O.[Ca+2]

InChI

InChI=1S/2C2H4O2S.Ca.3H2O/c2*3-2(4)1-5;;;;/h2*5H,1H2,(H,3,4);;3*1H2/q;;+2;;;/p-2

InChIKey

JIPSBNMXUNFKPA-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 5793-98-6

CID: 2734636

Formula: C4H12CaO7S2

MW: 276.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	0
Exact Mass	275.9650359
Monoisotopic Mass	275.9650359
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	37.4
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	6
Compound Is Canonicalized	Yes

Catalog	Name
IN12909	Calcium S, O-thioglycolate
IN11733-01	Calcium Dibenzoate Trihydrate
IN12417	Calcium mesoxalate trihydrate
IN13150	Calcium Mesoxalate Trihydrate
IN12101-01	Calcium 2-Mercaptoacetate Trihydrate
IN13317-01	Calcium 2-oxomalonate trihydrate
OR1029200-01	Butyl Thioglycolate
OR1027252-01	Isopropyl Thioglycolate
OR1012291-01	Ammonium Thioglycolate
OR1012292-01	Ammonium Thioglycolate

Catalog	Name
sc-474801	Calcium Thioglycolate Trihydrate
C01930-01	Calcium thioglycolate trihydrate 94%
RM-A212200-01	Atorvastatin Calcium Trihydrate
sc-504584	Calcium Benzoate Trihydrate
sc-488165	Calcium Mesoxalate Trihydrate
FA60421-01	Atorvastatin calcium salt trihydrate
sc-476099	Calcium meso-Tartrate Trihydrate
sc-481312	Acamprosate-d6 Calcium Trihydrate
C01525	Calcium mesoxalate trihydrate 98%
C01050-01	Calcium butyrate trihydrate 98%