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88649-46-1 | 2-Furancarboximidamide, 5-[4-(methylthio)phenyl]-
CAS No: 88649-46-1 Catalog No: AG0048MG MDL No:
Product Description
Catalog Number:
AG0048MG
Chemical Name:
2-Furancarboximidamide, 5-[4-(methylthio)phenyl]-
CAS Number:
88649-46-1
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
IUPAC Name:
5-(4-methylsulfanylphenyl)furan-2-carboximidamide
InChI:
InChI=1S/C12H12N2OS/c1-16-9-4-2-8(3-5-9)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H3,13,14)
InChI Key:
UWHMAACKVZKBEI-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(o1)C(=N)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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