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690632-12-3

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Basic Information
CAS No.: 690632-12-3
Name: [2-(3-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE MONOHYDRATE
Molecular Structure:
Molecular Structure of 690632-12-3 ([2-(3-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE MONOHYDRATE)
Formula: C10H12Cl2N2OS
Molecular Weight: 279.19
Synonyms: 4-Thiazolemethanamine,2-(3-chlorophenyl)-, monohydrochloride, monohydrate (9CI);
Melting Point: 203 °C
Boiling Point: 390.4 °C at 760 mmHg
Flash Point: 189.9 °C
Hazard Symbols: IrritantXi
PSA: 76.38000
LogP: 4.36020
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Specification

This chemical is called 4-Thiazolemethanamine,2-(3-chlorophenyl)-, hydrochloride, hydrate (1:1:1), and its CAS registry number is 690632-12-3. With the molecular formula of C10H12Cl2N2OS, its molecular weight is 279.19.

Other characteristics of the 4-Thiazolemethanamine,2-(3-chlorophenyl)-, hydrochloride, hydrate (1:1:1) can be summarised as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 1.66; (6)ACD/BCF (pH 7.4): 54.66; (7)ACD/KOC (pH 5.5): 15.83; (8)ACD/KOC (pH 7.4): 521.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.37 Å2; (13)Flash Point: 189.9 °C; (14)Enthalpy of Vaporization: 63.99 kJ/mol; (15)Boiling Point: 390.4 °C at 760 mmHg; (16)Vapour Pressure: 2.65E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cl.Clc1cccc(c1)c2nc(cs2)CN.O
2.InChI: InChI=1/C10H9ClN2S.ClH.H2O/c11-8-3-1-2-7(4-8)10-13-9(5-12)6-14-10;;/h1-4,6H,5,12H2;1H;1H2
3.InChIKey: SYKQAMBYYFRYFW-UHFFFAOYAB