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Home > Other Heterocycles > 101220-45-5
101220-45-5 | Spiro[cyclopropane-1,9'-[9H]thioxanthene], 2-phenyl-, 10',10'-dioxide
CAS No: 101220-45-5 Catalog No: AG0003ZO MDL No:
Product Description
Catalog Number:
AG0003ZO
Chemical Name:
Spiro[cyclopropane-1,9'-[9H]thioxanthene], 2-phenyl-, 10',10'-dioxide
CAS Number:
101220-45-5
Molecular Formula:
C21H16O2S
Molecular Weight:
332.4155
IUPAC Name:
2-phenylspiro[cyclopropane-1,9'-thioxanthene] 10',10'-dioxide
InChI:
InChI=1S/C21H16O2S/c22-24(23)19-12-6-4-10-16(19)21(17-11-5-7-13-20(17)24)14-18(21)15-8-2-1-3-9-15/h1-13,18H,14H2
InChI Key:
SRVORAMSTCAHNL-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2C2(c3c1cccc3)CC2c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.417g/mol
Monoisotopic Mass:
332.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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