Products Categories
| CAS No.: | 199475-45-1 |
|---|---|
| Name: | 5-Bromo-2(3H)-benzothiazolone |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4BrNOS |
| Molecular Weight: | 230.085 |
| Synonyms: | 5-BROMO-2(3H)-BENZOTHIAZOLONE;5-BroMobenzo[d]thiazol-2(3H)-one |
| Density: | 1.815 g/cm3 |
| PSA: | 61.10000 |
| LogP: | 2.35210 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:18 Page 1 of 1 1
What can I do for you?
Get Best Price
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