200,000+ products from a single source!
sales@angenechem.com
Home > Thiazole > 1024480-42-9
1024480-42-9 | 1-(1,3-benzothiazol-2-yl)-3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one
CAS No: 1024480-42-9 Catalog No: AG00ITH5 MDL No:MFCD00955382
Product Description
Catalog Number:
AG00ITH5
Chemical Name:
1-(1,3-benzothiazol-2-yl)-3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
1024480-42-9
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
MDL Number:
MFCD00955382
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one
InChI:
InChI=1S/C14H15N3OS/c1-14(2,3)11-8-12(18)17(16-11)13-15-9-6-4-5-7-10(9)19-13/h4-7H,8H2,1-3H3
InChI Key:
YWCYQGJDKLVKNW-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1nc2c(s1)cccc2)C(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.354g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.