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102070-37-1 | Benzene, 1,1',1''-[2-propen-1-yl-3-ylidenetris(thio)]tris- (9CI)
CAS No: 102070-37-1 Catalog No: AG0006IB MDL No:
Product Description
Catalog Number:
AG0006IB
Chemical Name:
Benzene, 1,1',1''-[2-propen-1-yl-3-ylidenetris(thio)]tris- (9CI)
CAS Number:
102070-37-1
Molecular Formula:
C21H18S3
Molecular Weight:
366.5626
IUPAC Name:
1,3-bis(phenylsulfanyl)prop-1-enylsulfanylbenzene
InChI:
InChI=1S/C21H18S3/c1-4-10-18(11-5-1)22-17-16-21(23-19-12-6-2-7-13-19)24-20-14-8-3-9-15-20/h1-16H,17H2
InChI Key:
XBMCYJDHTDKVJI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCC=C(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.555g/mol
Monoisotopic Mass:
366.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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