Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-2(3H)-benzoxazolethione |
EINECS | N/A |
CAS No. | 24316-84-5 | Density | 1.924g/cm3 |
PSA | 61.02000 | LogP | 3.25290 |
Solubility | N/A | Melting Point |
226-228℃ |
Formula | C7H4BrNOS | Boiling Point | 307.885 °C at 760 mmHg |
Molecular Weight | 230.085 | Flash Point | 140.004 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Benzoxazolinethione,6-bromo- (8CI);6-Bromo-2(3H)-benzoxazolethione;6-Bromo-2-benzoxazolinethione;6-Bromo-2-thioxobenzoxazoline; |
Article Data | 5 |
The 6-Bromo-2(3H)-benzoxazolethione with cas registry number of 24316-84-5, is also called 2-Benzoxazolinethione,6-bromo- (8CI); 6-Bromo-2-benzoxazolinethione.
Physical properties of 6-Bromo-2(3H)-benzoxazolethione: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.798; (4)ACD/LogD (pH 7.4): 1.798; (5)ACD/BCF (pH 5.5): 13.698; (6)ACD/BCF (pH 7.4): 13.683; (7)ACD/KOC (pH 5.5): 226.593; (8)ACD/KOC (pH 7.4): 226.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 49.557 cm3; (15)Molar Volume: 119.602 cm3; (16)Polarizability: 19.646×10-24cm3; (17)Surface Tension: 80.888 dyne/cm; (18)Enthalpy of Vaporization: 54.852 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:c1cc2c(cc1Br)oc(=S)[nH]2; (2)InChI:InChI=1/C7H4BrNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11); (3)InChIKey:LKVJXYIGFOTPGN-UHFFFAOYAF; (4)Std. InChI:InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11); (5)Std. InChIKey:LKVJXYIGFOTPGN-UHFFFAOYSA-N.