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33305-08-7

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Basic Information
CAS No.: 33305-08-7
Name: METHYL THIAZOLIDINE-2-CARBOXYLATE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 33305-08-7 (METHYL THIAZOLIDINE-2-CARBOXYLATE HYDROCHLORIDE)
Formula: C5H9NO2S.HCl
Molecular Weight: 183.659
Synonyms: 2-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (8CI,9CI);Methyl thiazolidine-2-carboxylatehydrochloride;Methyl thiazolidine-2-carboxylate monohydrochloride;
EINECS: 256-726-5
Melting Point: 159-163 ºC (dec.)
Boiling Point: 238.9 °C at 760mmHg
Flash Point: 98.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
Safety: 22-24/25
PSA: 63.63000
LogP: 0.95270
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Specification

The Methyl thiazolidine-2-carboxylate hydrochloride is an organic compound with the formula C5H9NO2S.HCl. The systematic name of this chemical is methyl 1,3-thiazolidine-2-carboxylate hydrochloride. With the CAS registry number 33305-08-7, it is also named as 2-Thiazolidinecarboxylic acid, methyl ester, hydrochloride (1:1). This chemical is dangerous to people, so people should not breathe dust and avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 19.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 98.3 °C; (13)Enthalpy of Vaporization: 47.58 kJ/mol; (14)Boiling Point: 238.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0413 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OC)C1SCCN1.Cl
2. InChI:InChI=1/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H 
3. InChIKey:YGTQIXUXZVNVKG-UHFFFAOYAG
4. Std. InChI:InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H 
5. Std. InChIKey:YGTQIXUXZVNVKG-UHFFFAOYSA-N