200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87427-82-5
87427-82-5 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-[4-(2-methylpropyl)phenyl]-
CAS No: 87427-82-5 Catalog No: AG004J7N MDL No:
Product Description
Catalog Number:
AG004J7N
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-[4-(2-methylpropyl)phenyl]-
CAS Number:
87427-82-5
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
5-[4-(2-methylpropyl)phenyl]-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C13H16N2OS/c1-9(2)7-10-3-5-11(6-4-10)12-8-17-13(16)15-14-12/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChI Key:
MPVPBJFAPSGHNB-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C1=NNC(=O)SC1)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.