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Basic Information
CAS No.: 41306-29-0
Name: 2-[3-METHYL-2-(METHYLIMINO)-4-OXO-1,3-THIAZOLAN-5-YL]ACETIC ACID
Molecular Structure:
Molecular Structure of 41306-29-0 (2-[3-METHYL-2-(METHYLIMINO)-4-OXO-1,3-THIAZOLAN-5-YL]ACETIC ACID)
Formula: C7H10N2O3S
Molecular Weight: 202.234
Synonyms: 3-Methyl-2-(methylimino)-4-oxo-5-thiazolidineacetic acid;[(2E)-3-Methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetic acid;2-[2-(azaethylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid;
Density: 1.478 g/cm3
Melting Point: 157 °C
Boiling Point: 374.495 °C at 760 mmHg
Flash Point: 180.288 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 95.27000
LogP: -0.04140
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Specification

The CAS register number of 5-Thiazolidineaceticacid, 3-methyl-2-(methylimino)-4-oxo- is 41306-29-0. It also can be called as 3-Methyl-2-(methylimino)-4-oxo-5-thiazolidineacetic acid and the IUPAC name about this chemical is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid. The molecular formula about this chemical is C7H10N2O3S and the molecular weight is 202.23.

Physical properties about 5-Thiazolidineaceticacid, 3-methyl-2-(methylimino)-4-oxo- are: (1)ACD/LogP: 0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 95.27Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 49.259 cm3; (12)Molar Volume: 136.856 cm3; (13)Polarizability: 19.528x10-24cm3; (14)Surface Tension: 56.476 dyne/cm; (15)Enthalpy of Vaporization: 68.29 kJ/mol; (16)Boiling Point: 374.495 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(CC(=O)O)S\C(=N\C)N1C
(2)InChI: InChI=1/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)/b8-7+
(3)InChIKey: JYCIIMYFSHYOEI-BQYQJAHWBG
(4)Std. InChI: InChI=1S/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)/b8-7+
(5)Std. InChIKey: JYCIIMYFSHYOEI-BQYQJAHWSA-N