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1001505-25-4 | 3-Cyclopropyl-5-(1-methyl-1H-pyrazol-4-ylmethylene)-2-thioxo-imidazolidin-4-one
CAS No: 1001505-25-4 Catalog No: AG01F3WY MDL No:
Product Description
Catalog Number:
AG01F3WY
Chemical Name:
3-Cyclopropyl-5-(1-methyl-1H-pyrazol-4-ylmethylene)-2-thioxo-imidazolidin-4-one
CAS Number:
1001505-25-4
Molecular Formula:
C11H12N4OS
Molecular Weight:
248.3042
IUPAC Name:
3-cyclopropyl-4-hydroxy-5-(1-pyrazol-4-ylideneethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N4OS/c1-6(7-4-12-13-5-7)9-10(16)15(8-2-3-8)11(17)14-9/h4-5,8,16H,2-3H2,1H3,(H,14,17)
InChI Key:
DQGFBJSAGKXMBX-UHFFFAOYSA-N
SMILES:
S=C1N/C(=C\c2cnn(c2)C)/C(=O)N1C1CC1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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