-
Name
N-bromotaurine
- EINECS
- CAS No. 52316-57-1
- Article Data3
- CAS DataBase
- Density 1.998g/cm3
- Solubility
- Melting Point
- Formula C2H6 Br N O3 S
- Boiling Point
- Molecular Weight 204.045
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Taurinebromamine;
- PSA 74.78000
- LogP 1.24540
N-Bromotaurine Specification
The N-Bromotaurine, with the CAS registry number 52316-57-1, is also known as 2-(Bromoamino)ethanesulfonic acid.It belongs to the product Organic matters,Pharmaceutical Intermediates.This chemical's molecular formula is C2H6BrNO3S and molecular weight is 204.04. What's more,Its systematic name is Ethanesulfonic acid,2-(bromoamino)-.
Physical properties about N-Bromotaurine are: (1)ACD/LogP: -0.972; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.39; (4)ACD/LogD (pH 7.4): -4.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 33.032 cm3; (14)Molar Volume: 102.085 cm3; (15)Surface Tension: 66.6999969482422 dyne/cm; (16)Density: 1.999 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:BrNCCS(=O)(=O)O;
(2)Std. InChI:InChI=1S/C2H6BrNO3S/c3-4-1-2-8(5,6)7/h4H,1-2H2,(H,5,6,7);
(3)Std. InChIKey:USAWSWBIFACPGD-UHFFFAOYSA-N.
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