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Home > Fluorides > 138415-84-6
138415-84-6 | Spiro[1,2,4-benzotrithiin-3,9'-[9H]fluorene] (9CI)
CAS No: 138415-84-6 Catalog No: AG001935 MDL No:
Product Description
Catalog Number:
AG001935
Chemical Name:
Spiro[1,2,4-benzotrithiin-3,9'-[9H]fluorene] (9CI)
CAS Number:
138415-84-6
Molecular Formula:
C19H12S3
Molecular Weight:
336.4936
IUPAC Name:
spiro[1,2,4-benzotrithiine-3,9'-fluorene]
InChI:
InChI=1S/C19H12S3/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)20-17-11-5-6-12-18(17)21-22-19/h1-12H
InChI Key:
IIXHDEKWFMKBPR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SC1(SS2)c2ccccc2c2c1cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.01g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.485g/mol
Monoisotopic Mass:
336.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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