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2365-26-6 | Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-
CAS No: 2365-26-6 Catalog No: AG002O1H MDL No:
Product Description
Catalog Number:
AG002O1H
Chemical Name:
Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-
CAS Number:
2365-26-6
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
IUPAC Name:
[(Z)-isoquinolin-1-ylmethylideneamino]thiourea
InChI:
InChI=1S/C11H10N4S/c12-11(16)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10/h1-7H,(H3,12,15,16)/b14-7-
InChI Key:
FQWITMQQUMTMRE-AUWJEWJLSA-N
SMILES:
NC(=S)NN=Cc1nccc2c1cccc2
NSC Number:
162700
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Inactivation of herpes simplex virus by thiosemicarbazones and certain cations. | Antimicrobial agents and chemotherapy 19740401 |
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