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144067-89-0 | 1(2H)-Naphthalenethione, 3,4-dihydro-2-[(phenylthio)methylene]-
CAS No: 144067-89-0 Catalog No: AG001IV9 MDL No:
Product Description
Catalog Number:
AG001IV9
Chemical Name:
1(2H)-Naphthalenethione, 3,4-dihydro-2-[(phenylthio)methylene]-
CAS Number:
144067-89-0
Molecular Formula:
C17H14S2
Molecular Weight:
282.4231
IUPAC Name:
2-(phenylsulfanylmethylidene)-3,4-dihydronaphthalene-1-thione
InChI:
InChI=1S/C17H14S2/c18-17-14(12-19-15-7-2-1-3-8-15)11-10-13-6-4-5-9-16(13)17/h1-9,12H,10-11H2
InChI Key:
KRCYXHHMBOKKHK-UHFFFAOYSA-N
SMILES:
S=C1C(=CSc2ccccc2)CCc2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.419g/mol
Monoisotopic Mass:
282.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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