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73280-78-1 | Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)-
CAS No: 73280-78-1 Catalog No: AG005F89 MDL No:
Product Description
Catalog Number:
AG005F89
Chemical Name:
Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)-
CAS Number:
73280-78-1
Molecular Formula:
C20H20OS2
Molecular Weight:
340.5022
IUPAC Name:
4-tert-butyl-3-methylsulfanylspiro[thiete-2,9'-xanthene]
InChI:
InChI=1S/C20H20OS2/c1-19(2,3)17-18(22-4)20(23-17)13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)20/h5-12H,1-4H3
InChI Key:
XUKPHHXMTZQPSQ-UHFFFAOYSA-N
SMILES:
CSC1=C(SC21c1ccccc1Oc1c2cccc1)C(C)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.499g/mol
Monoisotopic Mass:
340.096g/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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