Sodium 3-phenothiazin-10-ylpropane-1-sulfonate supplier

Name
SODIUM PHENOTHIAZINE-10-YL-PROPYLSULFONATE
EINECS 1592732-453-0
CAS No. 101199-38-6
Article Data5
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₅H₁₄NNaO₃S₂
Boiling Point
Molecular Weight 343.403
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 10H-Phenothiazine-10-propanesulfonicacid, sodium salt (9CI);
PSA 94.12000
LogP 4.37040

Sodium 3-phenothiazin-10-ylpropane-1-sulfonate Specification

The 10H-Phenothiazine-10-propanesulfonicacid, sodium salt (1:1), with the CAS registry number 101199-38-6, is also known as Sodium 3-(10H-phenothiazin-10-yl)-1-propanesulfonate. This chemical's molecular formula is C₁₅H₁₄NNaO₃S₂ and molecular weight is 343.03. What's more, its IUPAC name is called Sodium 3-phenothiazin-10-ylpropane-1-sulfonate.

Physical properties about 10H-Phenothiazine-10-propanesulfonicacid, sodium salt (1:1) are: (1)ACD/LogP: 2.716; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 91.29 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]S(=O)(=O)CCCN1c3c(Sc2c1cccc2)cccc3
(2) InChI: InChI=1S/C15H15NO3S2.Na/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16;/h1-4,6-9H,5,10-11H2,(H,17,18,19);/q;+1/p-1
(3) InChIKey: VKGYKXFNSKEHED-UHFFFAOYSA-M

Product Name

SODIUM PHENOTHIAZINE-10-YL-PROPYLSULFONATE

Sodium 3-phenothiazin-10-ylpropane-1-sulfonate Specification

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