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88346-10-5 | Hydrazinecarbothioamide, 2-(5-oxobenzo[h]quinolin-6(5H)-ylidene)-
CAS No: 88346-10-5 Catalog No: AG0047Q1 MDL No:
Product Description
Catalog Number:
AG0047Q1
Chemical Name:
Hydrazinecarbothioamide, 2-(5-oxobenzo[h]quinolin-6(5H)-ylidene)-
CAS Number:
88346-10-5
Molecular Formula:
C14H10N4OS
Molecular Weight:
282.3204
IUPAC Name:
(5-hydroxybenzo[h]quinolin-6-yl)iminothiourea
InChI:
InChI=1S/C14H10N4OS/c15-14(20)18-17-12-9-5-2-1-4-8(9)11-10(13(12)19)6-3-7-16-11/h1-7,19H,(H2,15,20)
InChI Key:
OIUBJKOFKGXWNG-UHFFFAOYSA-N
SMILES:
NC(=S)NN=C1C(=O)c2cccnc2c2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.321g/mol
Monoisotopic Mass:
282.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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