4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1) supplier

Name
METHYL THIAZOLIDINE-2-CARBOXYLATE HYDROCHLORIDE
EINECS 256-726-5
CAS No. 50703-06-5
Article Data3
CAS DataBase
Density
Solubility
Melting Point 159-163 °C (dec.)(lit.)
Formula C₅H₁₀ClNO₂S
Boiling Point 238.9 °C at 760 mmHg
Molecular Weight 183.659
Flash Point 98.3 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (9CI);Methyl 4-thiazolidinecarboxylatehydrochloride;NSC 108733;
PSA 63.63000
LogP 0.95270

4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1) Specification

The 4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1), with the CAS registry number 50703-06-5 and EINECS registry number 256-726-5, has the systematic name of methyl 1,3-thiazolidine-2-carboxylate hydrochloride. It belongs to the following product categories: Heterocyclic Compounds. And the molecular formula of the chemical is C₅H₁₀ClNO₂S. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of 4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1) are as followings: (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)Polar Surface Area: 54.84 Å²; (13)Flash Point: 98.3 °C; (14)Enthalpy of Vaporization: 47.58 kJ/mol; (15)Boiling Point: 238.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0413 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular 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

Product Name

METHYL THIAZOLIDINE-2-CARBOXYLATE HYDROCHLORIDE

4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1) Specification

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