CAS No.23451-95-8,2-Amino-5-bromobenzenethiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23451-95-8
Name:	2-Amino-5-bromobenzenethiol
Article Data:	34

Formula:	C₆H₆BrNS
Molecular Weight:	204.09
Synonyms:	2-Amino-5-bromothiophenol;benzenethiol, 2-amino-5-bromo-;
Density:	1.693 g/cm³
Melting Point:	113°C
Boiling Point:	277.1 °C at 760 mmHg
Flash Point:	121.4 °C
Appearance:	yellow solid
PSA:	64.82000
LogP:	2.90120

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Specification

This chemical is called 2-Amino-5-bromobenzenethiol, and it can also be named as 2-Amino-5-bromothiophenol. With the CAS number of 23451-95-8, its molecular formula is C₆H₆BrNS. The fomula weight of the 2-Amino-5-bromobenzenethiol is 204.09, and its appearance is often yellow solid.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 36.48; (6)ACD/BCF (pH 7.4): 18.48; (7)ACD/KOC (pH 5.5): 419.78; (8)ACD/KOC (pH 7.4): 212.7; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.54 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 46.35 cm³; (15)Molar Volume: 120.5 cm³; (16)Polarizability: 18.37×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.693 g/cm³; (19)Flash Point: 121.4 °C; (20)Enthalpy of Vaporization: 51.56 kJ/mol; (21)Boiling Point: 277.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00462 mmHg at 25°C; (23)Melting Point: 113°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(S)c(N)cc1
(2)InChI: InChI=1/C6H6BrNS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
(3)InChIKey: LDGHLZFFKMEAOE-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H6BrNS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
(5)Std. InChIKey: LDGHLZFFKMEAOE-UHFFFAOYSA-N