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55947-46-1

Basic Information
CAS No.: 55947-46-1
Name: Sodium propynesulfonate
Molecular Structure:
Molecular Structure of 55947-46-1 (Sodium propynesulfonate)
Formula: C3H4NaO3S
Molecular Weight: 143.10
Synonyms: 2-Propyne-1-sulfonicacid, sodium salt (6CI,9CI);Sodium 2-propyne-1-sulfonate;Propynesulfonic acid sodium salt (PS);
EINECS: 259-915-0
Density: 1.21-1.29(20ºC)
Melting Point: 220 °C (decomp)(Solv: methanol (67-56-1))
Boiling Point:
Flash Point: 26 °C
Solubility:
Appearance: Clear yellowish liquid
Hazard Symbols: Xn
Risk Codes: 63-10-20/21/22-36/38-40-48/20/22-68/20/21/22
Safety: 26-36/37
Transport Information:
PSA: 65.58000
LogP: 0.24560
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  • High quality Sodium Propyne Sulfonate

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    55947-46-1

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  • Sodium Propyne Sulfonate

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    55947-46-1

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    55947-46-1

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  • Propynesulfonic acid sodium salt (PS)

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    55947-46-1

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  • Propyne Sulfonic Acid

  • Casno:

    55947-46-1

    Propyne Sulfonic Acid

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Specification

The IUPAC name of 2-Propyne-1-sulfonic acid, sodium salt (1:1) is sodium prop-2-yne-1-sulfonate. With the CAS registry number 55947-46-1, it is also named as Sodium 2-propyne-1-sulphonate. The formula is C3H3NaO3S and the molecular weight is 142.10. It can be used as electroplating brightener that can improve the brightness of the current density area and enhance the tolerance of impurities.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.98; (4)ACD/LogD (pH 7.4): -5.01; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å2; (13)Rotatable Bond Count 1; (14)Exact Mass 141.970059; (15)MonoIsotopic Mass 141.970059; (16)Topological Polar Surface Area 65.6; (17)Heavy Atom Count 8; (18)Complexity 178.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Na+].[O-]S(=O)(=O)CC#C
2. InChI:InChI=1/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);/q;+1/p-1 
3. InChIKey:LDHXNOAOCJXPAH-REWHXWOFAO
4. Std. InChI:InChI=1S/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);/q;+1/p-1
5. Std. InChIKey:LDHXNOAOCJXPAH-UHFFFAOYSA-M

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