200,000+ products from a single source!
sales@angenechem.com
131729-17-4 | 2H-Naphth[1,8-cd]isothiazole, 2-(2-bromoethyl)-, 1,1-dioxide
CAS No: 131729-17-4 Catalog No: AG000ZMJ MDL No:MFCD07366312
Product Description
Catalog Number:
AG000ZMJ
Chemical Name:
2H-Naphth[1,8-cd]isothiazole, 2-(2-bromoethyl)-, 1,1-dioxide
CAS Number:
131729-17-4
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD07366312
IUPAC Name:
3-(2-bromoethyl)-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
InChI:
InChI=1S/C12H10BrNO2S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)17(14,15)16/h1-6H,7-8H2
InChI Key:
RFBNGWPBQUOUNT-UHFFFAOYSA-N
SMILES:
BrCCN1c2cccc3c2c(S1(=O)=O)ccc3
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.