200,000+ products from a single source!
sales@angenechem.com
88235-12-5 | 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-
CAS No: 88235-12-5 Catalog No: AG004CX2 MDL No:
Product Description
Catalog Number:
AG004CX2
Chemical Name:
3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-
CAS Number:
88235-12-5
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
4-(2-sulfanylidene-1,3-benzoxazol-3-yl)but-3-en-2-one
InChI:
InChI=1S/C11H9NO2S/c1-8(13)6-7-12-9-4-2-3-5-10(9)14-11(12)15/h2-7H,1H3
InChI Key:
POWBUUIZUJLPHW-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cn1c(=S)oc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.