Basic information
- Name:
Acetic acid,2-mercapto-, calcium salt (2:1)
- Superlist Name:
- Calcium thioglycolate
- CAS No.:
814-71-1
- Molecular Structure:
- Formula:
- C2H4O2S.1/2Ca
- Molecular Weight:
- 99.12
- Synonyms:
- Aceticacid, mercapto-, calcium salt (2:1) (8CI,9CI);Calciumthioglycollate;Depil;Ebacream;Jully;Surgex;Vikor;
- EINECS:
- 212-402-5
- Density:
- 1.311 g/cm3
- Boiling Point:
- 225.5 °C at 760 mmHg
- Flash Point:
- 99.8 °C
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26 Details
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Specification
The cas register number of Calcium thioglycolate is 814-71-1. It also can be called as 1Mercaptoacetic acid calcium derivative and the Systematic name about this chemical is calcium 2-sulfanylacetate.
Physical properties about Calcium thioglycolate are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.6Å2; (13)Flash Point: 99.8 °C; (14)Enthalpy of Vaporization: 50.9 kJ/mol; (15)Boiling Point: 225.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0314 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and Irritating to eyes, respiratory system and skin. If people in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
1.SMILES: [Ca+2].O=C([O-])CS.[O-]C(=O)CS
2.InChI: InChI=1/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2
3.InChIKey: CNYFJCCVJNARLE-NUQVWONBAR
4.Std. InChI: InChI=1S/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2.