200,000+ products from a single source!
sales@angenechem.com
105129-60-0 | Benzothiazole, 3-acetyl-2,3-dihydro-2-(2-hydroxy-5-methoxyphenyl)-
CAS No: 105129-60-0 Catalog No: AG007FN8 MDL No:
Product Description
Catalog Number:
AG007FN8
Chemical Name:
Benzothiazole, 3-acetyl-2,3-dihydro-2-(2-hydroxy-5-methoxyphenyl)-
CAS Number:
105129-60-0
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
IUPAC Name:
1-[2-(2-hydroxy-5-methoxyphenyl)-2H-1,3-benzothiazol-3-yl]ethanone
InChI:
InChI=1S/C16H15NO3S/c1-10(18)17-13-5-3-4-6-15(13)21-16(17)12-9-11(20-2)7-8-14(12)19/h3-9,16,19H,1-2H3
InChI Key:
ROSJMNJJOXFJGH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C1Sc2c(N1C(=O)C)cccc2)O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.