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88324-33-8 | Hydrazinecarbothioamide, N-ethyl-2-[1-(2-quinolinyl)ethylidene]-
CAS No: 88324-33-8 Catalog No: AG0047E0 MDL No:
Product Description
Catalog Number:
AG0047E0
Chemical Name:
Hydrazinecarbothioamide, N-ethyl-2-[1-(2-quinolinyl)ethylidene]-
CAS Number:
88324-33-8
Molecular Formula:
C14H16N4S
Molecular Weight:
272.3686
IUPAC Name:
1-ethyl-3-(1-quinolin-2-ylethylideneamino)thiourea
InChI:
InChI=1S/C14H16N4S/c1-3-15-14(19)18-17-10(2)12-9-8-11-6-4-5-7-13(11)16-12/h4-9H,3H2,1-2H3,(H2,15,18,19)
InChI Key:
NNVCTXOMSDBHPZ-UHFFFAOYSA-N
SMILES:
CCNC(=S)NN=C(c1ccc2c(n1)cccc2)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.37g/mol
Monoisotopic Mass:
272.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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