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Home > Imidazoles > 231630-13-0
231630-13-0 | 2H-Thieno[2,3-d]imidazol-2-one, 1,3-dihydro-3-methyl-
CAS No: 231630-13-0 Catalog No: AG002MF4 MDL No:MFCD13193604
Product Description
Catalog Number:
AG002MF4
Chemical Name:
2H-Thieno[2,3-d]imidazol-2-one, 1,3-dihydro-3-methyl-
CAS Number:
231630-13-0
Molecular Formula:
C6H6N2OS
Molecular Weight:
154.1896
MDL Number:
MFCD13193604
IUPAC Name:
3-methyl-1H-thieno[2,3-d]imidazol-2-one
InChI:
InChI=1S/C6H6N2OS/c1-8-5-4(2-3-10-5)7-6(8)9/h2-3H,1H3,(H,7,9)
InChI Key:
CZLSEXFVHQKUKI-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c1scc2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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