Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) supplier

Name
2-(4-AMINO-2,5-DIMETHOXY-PHENYL-SULFONYL)ETHANOL SULFATE ESTER
EINECS 247-896-1
CAS No. 26672-24-2
Density 1.531 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NO₈S₂
Boiling Point
Molecular Weight 341.363
Flash Point
Transport Information
Appearance black powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester) (9CI);1-Amino-2,5-dimethoxy-4-(b-sulfatoethylsulfonyl)benzene;1-Amino-2,5-dimethoxybenzene-4-b-hydroxyethylsulfone sulfuricacid ester;2,5-Dimethoxy-4-(2-sulfatoethylsulfonyl)aniline;2,5-Dimethoxy-4-(b-sulfatoethylsulfonyl)aniline;2,5-Dimethoxy-4-[(b-sulfooxyethyl)sulfonyl]aniline;4-(b-Sulfatoethylsulfonyl)-2,5-dimethoxyaniline;
PSA 158.98000
LogP 2.62190

Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) Specification

The Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate), with CAS registry number 26672-24-2, has the systematic name of 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]ethyl hydrogen sulfate. And its IUPAC name is the same one. And the chemical formula of this chemical is C₁₀H₁₅NO₈S₂.

Physical properties of Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate): (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.45; (4)ACD/LogD (pH 7.4): -3.45; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 125.2 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 73.27 cm³; (15)Molar Volume: 222.9 cm³; (16)Polarizability: 29.04×10^-24cm³; (17)Surface Tension: 62 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)OCCS(=O)(=O)c1cc(OC)c(N)cc1OC
(2)InChI: InChI=1/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)
(3)InChIKey: YTIYUMNTOZTPCC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)
(5)Std. InChIKey: YTIYUMNTOZTPCC-UHFFFAOYSA-N

Product Name

2-(4-AMINO-2,5-DIMETHOXY-PHENYL-SULFONYL)ETHANOL SULFATE ESTER

Ethanol,2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) Specification

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