5-Bromo-2(3H)-benzothiazolone supplier

Name
5-Bromo-2(3H)-benzothiazolone
EINECS
CAS No. 199475-45-1
Article Data5
CAS DataBase
Density 1.815 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNOS
Boiling Point
Molecular Weight 230.085
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-BROMO-2(3H)-BENZOTHIAZOLONE;5-BroMobenzo[d]thiazol-2(3H)-one
PSA 61.10000
LogP 2.35210

5-Bromo-2(3H)-benzothiazolone Specification

The 5-Bromo-2(3H)-benzothiazolone, with the CAS registry number of 199475-45-1, is also known as 5-Bromo-2,3-dihydro-1,3-benzothiazol-2-one. This chemical's molecular formula is C₇H₄BrNOS. What's more, its systematic name is 5-Bromo-1,3-benzothiazol-2(3H)-one.

Physical properties about the 5-Bromo-2(3H)-benzothiazolone are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.84; (6)ACD/BCF (pH 7.4): 105.15; (7)ACD/KOC (pH 5.5): 979.17; (8)ACD/KOC (pH 7.4): 972.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 48.53 cm³; (15)Molar Volume: 126.7 cm³; (16)Surface Tension: 57.7 dyne/cm; (17)Density: 1.815 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc1c(SC(=O)N1)cc2
(2) InChI: InChI=1/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
(3) InChIKey: BNWQDLHPYANRAV-UHFFFAOYAA

Product Name

5-Bromo-2(3H)-benzothiazolone

5-Bromo-2(3H)-benzothiazolone Specification

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