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Home > Imidazoles > 113825-02-8
113825-02-8 | 2H-Imidazole-2-thione, 1-(2-furanylmethyl)-1,3-dihydro-
CAS No: 113825-02-8 Catalog No: AG01FMLN MDL No:MFCD00874733
Product Description
Catalog Number:
AG01FMLN
Chemical Name:
2H-Imidazole-2-thione, 1-(2-furanylmethyl)-1,3-dihydro-
CAS Number:
113825-02-8
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD00874733
IUPAC Name:
3-(furan-2-ylmethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C8H8N2OS/c12-8-9-3-4-10(8)6-7-2-1-5-11-7/h1-5H,6H2,(H,9,12)
InChI Key:
NRZMYAMJWLAEEH-UHFFFAOYSA-N
SMILES:
Sc1nccn1Cc1ccco1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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