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1005645-94-2 | (5Z)-3-CYCLOPROPYL-5-[(1-METHYL-1H-PYRAZOL-4-YL)METHYLENE]-2-THIOXOIMIDAZ+
CAS No: 1005645-94-2 Catalog No: AG01ANW7 MDL No:MFCD29034279
Product Description
Catalog Number:
AG01ANW7
Chemical Name:
(5Z)-3-CYCLOPROPYL-5-[(1-METHYL-1H-PYRAZOL-4-YL)METHYLENE]-2-THIOXOIMIDAZ+
CAS Number:
1005645-94-2
Molecular Formula:
C11H12N4OS
Molecular Weight:
248.3042
MDL Number:
MFCD29034279
IUPAC Name:
3-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N4OS/c1-14-6-7(5-12-14)4-9-10(16)15(8-2-3-8)11(17)13-9/h4-6,8H,2-3H2,1H3,(H,13,17)
InChI Key:
ZVLJXEYLYNGHSQ-UHFFFAOYSA-N
SMILES:
S=C1NC(=Cc2cnn(c2)C)C(=O)N1C1CC1
Properties
Complexity:
404
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.304g/mol
Monoisotopic Mass:
248.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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