200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 89185-19-3
89185-19-3 | 2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-methyl-3-(methylthio)-
CAS No: 89185-19-3 Catalog No: AG003WDS MDL No:
Product Description
Catalog Number:
AG003WDS
Chemical Name:
2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-methyl-3-(methylthio)-
CAS Number:
89185-19-3
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
IUPAC Name:
4-methyl-3-methylsulfanyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
InChI:
InChI=1S/C7H10N2OS/c1-9-6(10)4-3-5(4)8-7(9)11-2/h4-5H,3H2,1-2H3
InChI Key:
QQPMXKINZHPIIM-UHFFFAOYSA-N
SMILES:
CN1C(=NC2C(C1=O)C2)SC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.