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Home > Imidazoles > 39806-38-7
39806-38-7 | 1-Acetyl-5-methyl-2-thioxo-4-imidazolidinone
CAS No: 39806-38-7 Catalog No: AG00777X MDL No:MFCD00463394
Product Description
Catalog Number:
AG00777X
Chemical Name:
1-Acetyl-5-methyl-2-thioxo-4-imidazolidinone
CAS Number:
39806-38-7
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD00463394
IUPAC Name:
1-acetyl-5-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C6H8N2O2S/c1-3-5(10)7-6(11)8(3)4(2)9/h3H,1-2H3,(H,7,10,11)
InChI Key:
FNKWCHCRAZJVQF-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1C)C(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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