Product Name

(2S)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid Specification

The systematic name of this chemical is (2S)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. With the CAS registry number 205320-24-7, it is also named as 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, (2S)-. The formula is C8H9Br2NO3S and molecular weight is 356.87.

The other characteristics of (2S)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid can be summarized as: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 82.91 Å2; (7)Index of Refraction: 1.704; (8)Molar Refractivity: 64.08 cm3; (9)Molar Volume: 164.9 cm3; (10)Polarizability: 25.4×10-24 cm3; (11)Surface Tension: 78.9 dyne/cm; (12)Density: 2.17 g/cm3; (13)Flash Point: 242 °C ; (14)Enthalpy of Vaporization: 81.1 kJ/mol; (15)Boiling Point: 476.6 °C at 760 mmHg; (16)Vapour Pressure: 2.14E-10 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H]1N2C(=O)C(Br)(Br)C2SC1(C)C
2. InChI:InChI=1/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)/t3-,6?/m0/s1
3. InChIKey:YLGIIVBDSLVWDR-FWRGRRDFBK
4. Std. InChI:InChI=1S/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)/t3-,6/m0/s1
5. Std. InChIKey:YLGIIVBDSLVWDR-FWRGRRDFSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View