200,000+ products from a single source!
sales@angenechem.com
918108-04-0 | 3(2H)-Isothiazolone, 2-[(2-phenyl-4-thiazolyl)methyl]-
CAS No: 918108-04-0 Catalog No: AG0069YK MDL No:
Product Description
Catalog Number:
AG0069YK
Chemical Name:
3(2H)-Isothiazolone, 2-[(2-phenyl-4-thiazolyl)methyl]-
CAS Number:
918108-04-0
Molecular Formula:
C13H10N2OS2
Molecular Weight:
274.3613
IUPAC Name:
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C13H10N2OS2/c16-12-6-7-18-15(12)8-11-9-17-13(14-11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
YJLQHPKMMZOMJA-UHFFFAOYSA-N
SMILES:
O=c1ccsn1Cc1csc(n1)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.356g/mol
Monoisotopic Mass:
274.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.