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Home > Nitro Compounds > 207510-62-1
207510-62-1 | 1,3-Benzodithiole, 2-[5-(5-nitro-2-thienyl)-2,4-pentadien-1-ylidene]-
CAS No: 207510-62-1 Catalog No: AG002J34 MDL No:
Product Description
Catalog Number:
AG002J34
Chemical Name:
1,3-Benzodithiole, 2-[5-(5-nitro-2-thienyl)-2,4-pentadien-1-ylidene]-
CAS Number:
207510-62-1
Molecular Formula:
C16H11NO2S3
Molecular Weight:
345.4590
IUPAC Name:
2-[5-(5-nitrothiophen-2-yl)penta-2,4-dienylidene]-1,3-benzodithiole
InChI:
InChI=1S/C16H11NO2S3/c18-17(19)15-11-10-12(20-15)6-2-1-3-9-16-21-13-7-4-5-8-14(13)22-16/h1-11H
InChI Key:
LSHXXLQLJGWLNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)C=CC=CC=C1Sc2c(S1)cccc2
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.995g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.449g/mol
Monoisotopic Mass:
344.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.9
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