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136195-53-4

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Basic Information
CAS No.: 136195-53-4
Name: 2-amino-4-chloro-1,3-thiazole-5-carbonitrile
Article Data: 2
Molecular Structure:
Molecular Structure of 136195-53-4 (2-amino-4-chloro-1,3-thiazole-5-carbonitrile)
Formula: C4H2ClN3S
Molecular Weight: 159.599
Synonyms: 2-Amino-4-chloro-1,3-thiazole-5-carbonitrile;
Density: 1.63 g/cm3
Boiling Point: 376.7 °C at 760 mmHg
Flash Point: 181.6 °C
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Specification

The CAS registry number of 5-Thiazolecarbonitrile,2-amino-4-chloro- is 136195-53-4. The molecular formula of it is C4H2ClN3S and molecular weight is 159.5968. Its systematic name is called 2-Amino-4-chloro-1,3-thiazole-5-carbonitrile.

Physical properties about 5-Thiazolecarbonitrile,2-amino-4-chloro- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.24; (8)ACD/KOC (pH 7.4): 38.24; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 35.7 cm3; (14)Molar Volume: 97.4 cm3; (15)Surface Tension: 87.9 dyne/cm; (16)Density: 1.63 g/cm3; (17)Flash Point: 181.6 °C; (18)Enthalpy of Vaporization: 62.44 kJ/mol; (19)Boiling Point: 376.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(N)nc1Cl
(2)InChI: InChI=1/C4H2ClN3S/c5-3-2(1-6)9-4(7)8-3/h(H2,7,8)
(3)InChIKey: RPZOZNMZMQMLMY-UHFFFAOYAC