200,000+ products from a single source!
sales@angenechem.com
89661-20-1 | 3(2H)-Isoxazolone, 4-bromo-5-[(ethylthio)methyl]-
CAS No: 89661-20-1 Catalog No: AG0044VU MDL No:
Product Description
Catalog Number:
AG0044VU
Chemical Name:
3(2H)-Isoxazolone, 4-bromo-5-[(ethylthio)methyl]-
CAS Number:
89661-20-1
Molecular Formula:
C6H8BrNO2S
Molecular Weight:
238.1022
IUPAC Name:
4-bromo-5-(ethylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C6H8BrNO2S/c1-2-11-3-4-5(7)6(9)8-10-4/h2-3H2,1H3,(H,8,9)
InChI Key:
ZGZGDACPIDJGGX-UHFFFAOYSA-N
SMILES:
CCSCc1o[nH]c(=O)c1Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.946g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.099g/mol
Monoisotopic Mass:
236.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.