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63387-34-8

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Basic Information
CAS No.: 63387-34-8
Name: Strontium bis(mercaptoacetate)
Molecular Structure:
Molecular Structure of 63387-34-8 (Strontium bis(mercaptoacetate))
Formula: C4H6O4S2Sr
Molecular Weight: 269.83804
Synonyms: Strontiumthioglycolate;Bis(mercaptoacetic acid)strontium salt;
EINECS: 264-116-5
Boiling Point: 225.5 °C at 760 mmHg
Flash Point: 99.8 °C
PSA: 116.23000
LogP: -1.71600
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Specification

The Strontium bis(mercaptoacetate), with the CAS registry number 63387-34-8, is also known as Bis(mercaptoacetic acid)strontium salt. Its EINECS registry number is 264-116-5. This chemical's molecular formula is C4H6O4S2Sr and molecular weight is 269.83804. What's more, its IUPAC name is Strontium 2-sulfanylacetate.

Physical properties about Strontium bis(mercaptoacetate) 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: 62.6 Å2; (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.

You can still convert the following datas into molecular structure:
(1) SMILES: [Sr+2].O=C([O-])CS.[O-]C(=O)CS
(2) InChI: InChI=1/2C2H4O2S.Sr/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2
(3) InChIKey: JEUDXCQTVURKDL-NUQVWONBAL