200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88020-12-6
88020-12-6 | 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-(2-thienyl)-
CAS No: 88020-12-6 Catalog No: AG004GKH MDL No:
Product Description
Catalog Number:
AG004GKH
Chemical Name:
1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-(2-thienyl)-
CAS Number:
88020-12-6
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
IUPAC Name:
3-thiophen-2-yl-2,5-dihydro-1H-1,2,4-triazin-6-one
InChI:
InChI=1S/C7H7N3OS/c11-6-4-8-7(10-9-6)5-2-1-3-12-5/h1-3H,4H2,(H,8,10)(H,9,11)
InChI Key:
AHNWLFIDNWZXLW-UHFFFAOYSA-N
SMILES:
O=C1CN=C(NN1)c1cccs1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.