6-Bromo-2(3H)-benzoxazolethione supplier

Name
6-bromobenzo[d]oxazole-2(3H)-thione
EINECS
CAS No. 24316-84-5
Article Data5
CAS DataBase
Density 1.924g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzoxazolinethione,6-bromo- (8CI);6-Bromo-2(3H)-benzoxazolethione;6-Bromo-2-benzoxazolinethione;6-Bromo-2-thioxobenzoxazoline;
PSA 61.02000
LogP 3.25290

6-Bromo-2(3H)-benzoxazolethione Specification

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.

Product Name

6-bromobenzo[d]oxazole-2(3H)-thione

6-Bromo-2(3H)-benzoxazolethione Specification

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