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Home > Other Heterocycles > 91620-73-4
91620-73-4 | Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(methylthio)-3-phenyl-
CAS No: 91620-73-4 Catalog No: AG006S6R MDL No:
Product Description
Catalog Number:
AG006S6R
Chemical Name:
Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(methylthio)-3-phenyl-
CAS Number:
91620-73-4
Molecular Formula:
C22H16OS2
Molecular Weight:
360.4918
IUPAC Name:
4-methylsulfanyl-3-phenylspiro[thiete-2,9'-xanthene]
InChI:
InChI=1S/C22H16OS2/c1-24-21-20(15-9-3-2-4-10-15)22(25-21)16-11-5-7-13-18(16)23-19-14-8-6-12-17(19)22/h2-14H,1H3
InChI Key:
HYEMGGGIIJWELX-UHFFFAOYSA-N
SMILES:
CSC1=C(C2(S1)c1ccccc1Oc1c2cccc1)c1ccccc1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.064g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.489g/mol
Monoisotopic Mass:
360.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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