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| CAS No.: | 40925-72-2 |
|---|---|
| Name: | 2-AMINO-3-CHLOROTHIOPHENOL |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H6ClNS |
| Molecular Weight: | 159.639 |
| Synonyms: | Benzenethiol, 2-amino-3-chloro-;2-amino-3-chlorothiophenol; |
| Density: | 1.373 g/cm3 |
| Melting Point: | 78℃ |
| Boiling Point: | 254.908 °C at 760 mmHg |
| Flash Point: | 107.965 °C |
| PSA: | 64.82000 |
| LogP: | 2.79210 |
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Specification
The CAS register number of 2-Amino-3-chlorobenzenethiol is 40925-72-2. It also can be called as Benzenethiol, 2-amino-3-chloro- and the systematic name about this chemical is 2-amino-3-chlorobenzenethiol. The molecular formula about this chemical is C6H6ClNS and the molecular weight is 159.64.
Physical properties about 2-Amino-3-chlorobenzenethiol are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 37; (5)ACD/BCF (pH 7.4): 16; (6)ACD/KOC (pH 5.5): 457; (7)ACD/KOC (pH 7.4): 201; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 64.82Å2; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 43.559 cm3; (14)Molar Volume: 116.275 cm3; (15)Polarizability: 17.268x10-24cm3; (16)Surface Tension: 55.578 dyne/cm; (17)Enthalpy of Vaporization: 49.236 kJ/mol; (18)Boiling Point: 254.908 °C at 760 mmHg; (19)Vapour Pressure: 0.017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Sc1cccc(Cl)c1N
(2)InChI: InChI=1/C6H6ClNS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
(3)InChIKey: XERMPLQXCQQVGU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H6ClNS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2
(5)Std. InChIKey: XERMPLQXCQQVGU-UHFFFAOYSA-N