(2S)-2-phenyl-2-phenylsulfanyloxane

C17H18OS — CID 132537400

IUPAC(2S)-2-phenyl-2-phenylsulfanyloxane
SMILESc1ccc(S[C@]2(c3ccccc3)CCCCO2)cc1
InChIInChI=1S/C17H18OS/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/t17-/m0/s1
InChIKeyVICMZMIORAYSLB-KRWDZBQOSA-N
MW270.40 g/mol
LogP4.83
Rot. Bonds3

About (2S)-2-phenyl-2-phenylsulfanyloxane

(2S)-2-phenyl-2-phenylsulfanyloxane (PubChem CID 132537400) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2S)-2-phenyl-2-phenylsulfanyloxane.

Molecular Properties

Compound Name(2S)-2-phenyl-2-phenylsulfanyloxane
PubChem CID132537400
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(2S)-2-phenyl-2-phenylsulfanyloxane
SMILESc1ccc(S[C@]2(c3ccccc3)CCCCO2)cc1
InChIInChI=1S/C17H18OS/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/t17-/m0/s1
InChIKeyVICMZMIORAYSLB-KRWDZBQOSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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P 293
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CID 568901
2,2-dimethyl-4H-3,1-benzoxathiine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-phenylsulfanyloxane?
The IUPAC name of (2S)-2-phenyl-2-phenylsulfanyloxane (CID 132537400) is (2S)-2-phenyl-2-phenylsulfanyloxane.
What is the SMILES notation for (2S)-2-phenyl-2-phenylsulfanyloxane?
The canonical SMILES for (2S)-2-phenyl-2-phenylsulfanyloxane is c1ccc(S[C@]2(c3ccccc3)CCCCO2)cc1.
What is the InChIKey of (2S)-2-phenyl-2-phenylsulfanyloxane?
The InChIKey is VICMZMIORAYSLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18OS/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/t17-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-phenylsulfanyloxane?
(2S)-2-phenyl-2-phenylsulfanyloxane has a molecular weight of 270.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-phenylsulfanyloxane is sourced from PubChem (CID 132537400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).