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CAS No.: | 37566-40-8 |
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Name: | 5-Chloro-1,3,4-thiadiazol-2-ylamine |
Article Data: | 4 |
Molecular Structure: | |
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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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