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Basic Information
CAS No.: 37566-40-8
Name: 5-Chloro-1,3,4-thiadiazol-2-ylamine
Article Data: 4
Molecular Structure:
Molecular Structure of 37566-40-8 (5-Chloro-1,3,4-thiadiazol-2-ylamine)
Formula: C2H2ClN3S
Molecular Weight: 135.577
Synonyms: 2-Amino-5-chloro-1,3,4-thiadiazole;NSC 231514;
Density: 1.703g/cm3
Boiling Point: 295.2°Cat760mmHg
Flash Point: 132.4°C
Appearance: Not specified
PSA: 80.04000
LogP: 1.35490
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  • 37566-40-8

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    37566-40-8

    37566-40-8

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Specification

The 1,3,4-Thiadiazol-2-amine,5-chloro- is an organic compound with the formula C2H2ClN3S. The IUPAC name of this chemical is 5-chloro-1,3,4-thiadiazol-2-amine. With the CAS registry number 37566-40-8, it is also named as 5-Chloro-1,3,4-thiadiazol-2-ylamine.

Physical properties about 1,3,4-Thiadiazol-2-amine,5-chloro- are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.6; (5)ACD/BCF (pH 7.4): 2.6; (6)ACD/KOC (pH 5.5): 68.89; (7)ACD/KOC (pH 7.4): 68.89; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 57.26 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 29.95 cm3; (13)Molar Volume: 79.5 cm3; (14)Polarizability: 11.87×10-24cm3; (15)Surface Tension: 83.2 dyne/cm; (16)Density: 1.703 g/cm3; (17)Flash Point: 132.4 °C; (18)Enthalpy of Vaporization: 53.49 kJ/mol; (19)Boiling Point: 295.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nnc(s1)N
(2)InChI: InChI=1/C2H2ClN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
(3)InChIKey: OPGJORQBYBKWNH-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C2H2ClN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
(5)Std. InChIKey: OPGJORQBYBKWNH-UHFFFAOYSA-N