200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 76995-60-3
76995-60-3 | Thiocyanic acid,4-(hexahydro-1,3-dioxoimidazo[1,5-a]pyridin-2(3H)-yl)phenyl ester
CAS No: 76995-60-3 Catalog No: AG005F8P MDL No:
Product Description
Catalog Number:
AG005F8P
Chemical Name:
Thiocyanic acid,4-(hexahydro-1,3-dioxoimidazo[1,5-a]pyridin-2(3H)-yl)phenyl ester
CAS Number:
76995-60-3
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
[4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate
InChI:
InChI=1S/C14H13N3O2S/c15-9-20-11-6-4-10(5-7-11)17-13(18)12-3-1-2-8-16(12)14(17)19/h4-7,12H,1-3,8H2
InChI Key:
NMYZGUPUILDNQW-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1)N1C(=O)C2N(C1=O)CCCC2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.