CAS No.35688-18-7,N-(methylsulfonyl)glycine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35688-18-7
Name:	N-(methylsulfonyl)glycine
Article Data:	2

Formula:	C₃H₇NO₄S
Molecular Weight:	153.159
Synonyms:	2-(Methylsulfonamido)acetic acid;
Density:	1.493 g/cm³
Melting Point:	172-173 °C
Boiling Point:	344.3 °C at 760 mmHg
Flash Point:	162 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	91.85000
LogP:	0.09190

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Specification

The Glycine,N-(methylsulfonyl)-, with the CAS registry number of 35688-18-7, is also known as 2-(Methylsulfonamido)acetic acid. This chemical's molecular formula is C₃H₇NO₄S and molecular weight is 153.15698. What's more, its systematic name is N-(Methylsulfonyl)glycine.

Physical properties about the Glycine,N-(methylsulfonyl)- are: (1)ACD/LogP: -1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.84; (4)ACD/LogD (pH 7.4): -4.98; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 30.04 cm³; (15)Molar Volume: 102.5 cm³; (16)Surface Tension: 59.2 dyne/cm; (17)Density: 1.493 g/cm³; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 64.64 kJ/mol; (20)Boiling Point: 344.3 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNS(=O)(=O)C
(2) InChI: InChI=1/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
(3) InChIKey: LTZMAQOKPJMBRZ-UHFFFAOYAZ