CAS No.25985-57-3,2-(AMIDINOTHIO)ETHANESULFONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25985-57-3
Name:	2-(AMIDINOTHIO)ETHANESULFONIC ACID

Formula:	C₃H₈N₂O₃S₂
Molecular Weight:	184.24
Synonyms:	2-(Amidinothio)ethanesulfonic acid;Ethanesulfonic acid, 2-((aminoiminomethyl)thio)-;2-carbamimidoylsulfanylethanesulfonic acid;2-Sulfoethyl carbamimidothioate;
EINECS:	247-391-6
Density:	1.73 g/cm³
Melting Point:	209-270 °C
PSA:	137.92000
LogP:	1.38170

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Specification

This chemical is called 2-(2-Sulphonatoethyl)isothiouronium, and its IUPAC name is 2-carbamimidoylsulfanylethanesulfonic acid. With the molecular formula of C₃H₈N₂O₃S₂, its molecular weight is 184.24. The CAS registry number of this chemical is 25985-57-3. Additionally, its product category is Small Molecule.

Other characteristics of the 2-(2-Sulphonatoethyl)isothiouronium can be summarised as followings: (1)ACD/LogP: -2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.57; (4)ACD/LogD (pH 7.4): -4.59; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 92.65 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 38.61 cm³; (15)Molar Volume: 106.3 cm³; (16)Polarizability: 15.3×10^-24cm³; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.73 g/cm³.

Uses of this chemical: The 2-mercapto-ethanesulfonic acid ; guanidinium salt could be obtained by the 2-(2-Sulphonatoethyl)isothiouronium. This reaction needs the reagent of NH₃. The yield is 99 %.

The 2-mercapto-ethanesulfonic acid ; guanidinium salt could be obtained by the 2-(2-Sulphonatoethyl)isothiouronium

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)CCSC(=[N@H])N
2.InChI: InChI=1/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)
3.InChIKey: LTHWZZOUNJCHES-UHFFFAOYAJ