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Calcium thioglycolate trihydrate 94%

CAT: 0286-C01930-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-C01930-01Size:25 g
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CAS Number
5793-98-6
Synonyms
Mercaptoacetic acid calcium salt; Thioglycolic acid calcium salt
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00150707
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Calcium thioglycolate trihydrate
CAS Number5793-98-6
PubChem CID2734636
IUPAC Namecalcium;bis(2-sulfanylacetate);trihydrate
Molecular FormulaC4H12CaO7S2
Molecular Weight276.3
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity37
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
2D structure of Calcium thioglycolate trihydrate
CAS: 5793-98-6
CID: 2734636
Formula: C4H12CaO7S2
MW: 276.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass275.9650359
Monoisotopic Mass275.9650359
Topological Polar Surface Area85.3 Ų
Heavy Atom Count14
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 Count6
Compound Is CanonicalizedYes

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