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113952-15-1 | 9H-Thioxanthene, 9-[(propylthio)methylene]-
CAS No: 113952-15-1 Catalog No: AG000A54 MDL No:
Product Description
Catalog Number:
AG000A54
Chemical Name:
9H-Thioxanthene, 9-[(propylthio)methylene]-
CAS Number:
113952-15-1
Molecular Formula:
C17H16S2
Molecular Weight:
284.4389
IUPAC Name:
9-(propylsulfanylmethylidene)thioxanthene
InChI:
InChI=1S/C17H16S2/c1-2-11-18-12-15-13-7-3-5-9-16(13)19-17-10-6-4-8-14(15)17/h3-10,12H,2,11H2,1H3
InChI Key:
NBDOMKXVGZMESP-UHFFFAOYSA-N
SMILES:
CCCSC=C1c2ccccc2Sc2c1cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.435g/mol
Monoisotopic Mass:
284.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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