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89806-08-6 | Hydrazinecarbodithioic acid, (4-quinolinylmethylene)-, methyl ester
CAS No: 89806-08-6 Catalog No: AG003ZHE MDL No:
Product Description
Catalog Number:
AG003ZHE
Chemical Name:
Hydrazinecarbodithioic acid, (4-quinolinylmethylene)-, methyl ester
CAS Number:
89806-08-6
Molecular Formula:
C12H11N3S2
Molecular Weight:
261.3658
IUPAC Name:
methyl N-(quinolin-4-ylmethylideneamino)carbamodithioate
InChI:
InChI=1S/C12H11N3S2/c1-17-12(16)15-14-8-9-6-7-13-11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)
InChI Key:
YOQVWPCEMZPZJN-UHFFFAOYSA-N
SMILES:
CSC(=S)NN=Cc1ccnc2c1cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.361g/mol
Monoisotopic Mass:
261.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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