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CAS No.: | 632356-42-4 |
---|---|
Name: | 4-Chloro-3-thiophenamine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H4ClNS |
Molecular Weight: | 133.601 |
Synonyms: | 3-Amino-4-chlorothiophen; |
Density: | 1.434 g/cm3 |
Boiling Point: | 254.082 °C at 760 mmHg |
Flash Point: | 107.465 °C |
PSA: | 54.26000 |
LogP: | 2.56490 |
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The 4-Chloro-3-thiophenamine, with the CAS registry number 632356-42-4, is also known as 3-Amino-4-chlorothiophen. This chemical's molecular formula is C4H4ClNS and molecular weight is 133.6. What's more, its systematic name is 4-Chlorothiophen-3-amine.
Physical properties about 4-Chloro-3-thiophenamine are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 187; (8)ACD/KOC (pH 7.4): 187; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 33.768 cm3; (15)Molar Volume: 93.144 cm3; (16)Polarizability: 13.387×10-24 cm3; (17)Surface Tension: 53.694 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 107.465 °C; (20)Enthalpy of Vaporization: 49.15 kJ/mol; (21)Boiling Point: 254.082 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cscc1Cl
(2) InChI: InChI=1/C4H4ClNS/c5-3-1-7-2-4(3)6/h1-2H,6H2
(3) InChIKey: XCJMRYCTWBDPQJ-UHFFFAOYAX