7-Bromobenzo[d]thiazole-2-thiol supplier

Name
7-bromobenzo[d]thiazole-2-thiol
EINECS
CAS No. 908355-83-9
Density 1.933g/cm³
Solubility
Melting Point
Formula C₇H₄ Br N S₂
Boiling Point 347.63 °C at 760 mmHg
Molecular Weight 246.151
Flash Point 164.041 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-benzothiazolethiol, 7-bromo-;7-Bromo-1,3-benzothiazole-2-thiol;
PSA 79.93000
LogP 3.34750

7-Bromobenzo[d]thiazole-2-thiol Specification

The 7-Bromobenzo[d]thiazole-2-thiol with cas registry number of 908355-83-9, is also called 2-benzothiazolethiol, 7-bromo- .The 7-Bromobenzo[d]thiazole-2-thiol belongs to the following product categorie: chiral chemicals.

Physical properties of 7-Bromobenzo[d]thiazole-2-thiol :(1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 69.42 Å²; (13)Index of Refraction: 1.828; (14)Molar Refractivity: 55.831 cm³; (15)Molar Volume: 127.366 cm³; (16)Polarizability: 22.133×10^-24cm³; (17)Surface Tension: 88.592 dyne/cm; (18)Enthalpy of Vaporization: 59.193 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:Brc2cccc1c2SC(=S)N1; (2)InChI:InChI=1/C7H4BrNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10); (3)InChIKey:YMKOWNRHWXMBKS-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C7H4BrNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10); (5)Std. InChIKey:YMKOWNRHWXMBKS-UHFFFAOYSA-N.

Product Name

7-bromobenzo[d]thiazole-2-thiol

7-Bromobenzo[d]thiazole-2-thiol Specification

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