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83790-80-1 | Carbamimidothioic acid, N-(2-furanylcarbonyl)-N'-phenyl-, methyl ester
CAS No: 83790-80-1 Catalog No: AG0055PV MDL No:
Product Description
Catalog Number:
AG0055PV
Chemical Name:
Carbamimidothioic acid, N-(2-furanylcarbonyl)-N'-phenyl-, methyl ester
CAS Number:
83790-80-1
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
methyl N-(furan-2-carbonyl)-N'-phenylcarbamimidothioate
InChI:
InChI=1S/C13H12N2O2S/c1-18-13(14-10-6-3-2-4-7-10)15-12(16)11-8-5-9-17-11/h2-9H,1H3,(H,14,15,16)
InChI Key:
GSKBUZIXJIRKEV-UHFFFAOYSA-N
SMILES:
CSC(=Nc1ccccc1)NC(=O)c1ccco1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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