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794461-88-4 | Carbamimidothioic acid,2-methyl-4-quinolinyl ester
CAS No: 794461-88-4 Catalog No: AG005K34 MDL No:
Product Description
Catalog Number:
AG005K34
Chemical Name:
Carbamimidothioic acid,2-methyl-4-quinolinyl ester
CAS Number:
794461-88-4
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
IUPAC Name:
(2-methylquinolin-4-yl) carbamimidothioate
InChI:
InChI=1S/C11H11N3S/c1-7-6-10(15-11(12)13)8-4-2-3-5-9(8)14-7/h2-6H,1H3,(H3,12,13)
InChI Key:
QPIUJEMWIXUNAH-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1cc(C)nc2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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