CAS No.37597-96-9,2-Aminoethyl methanethiosulfonate, hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37597-96-9
Name:	2-Aminoethyl methanethiosulfonate, hydrochloride

Formula:	C₃H₁₀ClNO₂S₂
Molecular Weight:	191.70
Synonyms:	2-[(Methylsulfonyl)sulfanyl]ethanaminium chloride;
Melting Point:	145-147 °C
Boiling Point:	337.3 °C at 760 mmHg
Flash Point:	157.8 °C
Appearance:	Yellow powder
Hazard Symbols:	Xi
PSA:	93.84000
LogP:	2.22100

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Specification

The chemical with CAS registry number of 37597-96-9 is known as 2-Aminoethyl methanethiosulfonate, hydrochloride. The systematic name is 2-[(Methylsulfonyl)sulfanyl]ethanaminium chloride. It belongs to product categories of MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents. In addition, the formula is C₃H₁₀ClNO₂S₂ and the molecular weight is 191.70. This chemical is a yellow powder that may cause inflammation to the skin or other mucous membranes. What's more, it is used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

Physical properties about 2-Aminoethyl methanethiosulfonate, hydrochloride are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.93; (4)ACD/LogD (pH 7.4): -1.25; (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): 1.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 157.8 °C; (13)Enthalpy of Vaporization: 58.05 kJ/mol; (14)Boiling Point: 337.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000106 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:[Cl-].O=S(=O)(SCC[NH3+])C
2. InChI:InChI=1/C3H9NO2S2.ClH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
3. InChIKey:YTDDUJNXUXWWDV-UHFFFAOYAS
4. Std. InChI:InChI=1S/C3H9NO2S2.ClH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
5. Std. InChIKey:YTDDUJNXUXWWDV-UHFFFAOYSA-N