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Home > Imidazoles > 1008949-73-2
1008949-73-2 | 1-cyclopropyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 1008949-73-2 Catalog No: AG01EIR4 MDL No:MFCD06655832
Product Description
Catalog Number:
AG01EIR4
Chemical Name:
1-cyclopropyl-4-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
1008949-73-2
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD06655832
IUPAC Name:
3-cyclopropyl-5-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H10N2OS/c1-4-6(10)9(5-2-3-5)7(11)8-4/h4-5H,2-3H2,1H3,(H,8,11)
InChI Key:
ZHUOJFGTPZIDPO-UHFFFAOYSA-N
SMILES:
O=C1C(C)N=C(N1C1CC1)S
Properties
Complexity:
225
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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