200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 941868-80-0
941868-80-0 | 5-HYDROXY-2-([(1-METHYL-1H-IMIDAZOL-2-YL)THIO]METHYL)-4H-PYRAN-4-ONE
CAS No: 941868-80-0 Catalog No: AG01AR9N MDL No:MFCD09743101
Product Description
Catalog Number:
AG01AR9N
Chemical Name:
5-HYDROXY-2-([(1-METHYL-1H-IMIDAZOL-2-YL)THIO]METHYL)-4H-PYRAN-4-ONE
CAS Number:
941868-80-0
Molecular Formula:
C10H10N2O3S
Molecular Weight:
238.2630
MDL Number:
MFCD09743101
IUPAC Name:
5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one
InChI:
InChI=1S/C10H10N2O3S/c1-12-3-2-11-10(12)16-6-7-4-8(13)9(14)5-15-7/h2-5,14H,6H2,1H3
InChI Key:
DARRJDGVMAZLGK-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCc1occ(c(=O)c1)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.261g/mol
Monoisotopic Mass:
238.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.