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Home > Imidazoles > 287197-91-5
287197-91-5 | 3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CAS No: 287197-91-5 Catalog No: AG00IWJU MDL No:MFCD00106580
Product Description
Catalog Number:
AG00IWJU
Chemical Name:
3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CAS Number:
287197-91-5
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD00106580
IUPAC Name:
3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C9H9N3OS/c13-8-5-11-9(14)12(8)6-7-2-1-3-10-4-7/h1-4H,5-6H2,(H,11,14)
InChI Key:
DKNYMBJPMOSVPU-UHFFFAOYSA-N
SMILES:
O=C1CNC(=S)N1Cc1cccnc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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