1-phenylsulfanylphenoxathiine 10,10-dioxide

C18H12O3S2 — CID 10854648

IUPAC1-phenylsulfanylphenoxathiine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccc(Sc3ccccc3)c21
InChIInChI=1S/C18H12O3S2/c19-23(20)17-12-5-4-9-14(17)21-15-10-6-11-16(18(15)23)22-13-7-2-1-3-8-13/h1-12H
InChIKeyNNTGRTUPIAKARI-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.78
Rot. Bonds2

About 1-phenylsulfanylphenoxathiine 10,10-dioxide

1-phenylsulfanylphenoxathiine 10,10-dioxide (PubChem CID 10854648) has the molecular formula C18H12O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-phenylsulfanylphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-phenylsulfanylphenoxathiine 10,10-dioxide
PubChem CID10854648
Molecular FormulaC18H12O3S2
Molecular Weight340.43 g/mol
Exact Mass340.02
IUPAC Name1-phenylsulfanylphenoxathiine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccc(Sc3ccccc3)c21
InChIInChI=1S/C18H12O3S2/c19-23(20)17-12-5-4-9-14(17)21-15-10-6-11-16(18(15)23)22-13-7-2-1-3-8-13/h1-12H
InChIKeyNNTGRTUPIAKARI-UHFFFAOYSA-N
XLogP4.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylphenoxathiine 10,10-dioxide?
The IUPAC name of 1-phenylsulfanylphenoxathiine 10,10-dioxide (CID 10854648) is 1-phenylsulfanylphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-phenylsulfanylphenoxathiine 10,10-dioxide?
The canonical SMILES for 1-phenylsulfanylphenoxathiine 10,10-dioxide is O=S1(=O)c2ccccc2Oc2cccc(Sc3ccccc3)c21.
What is the InChIKey of 1-phenylsulfanylphenoxathiine 10,10-dioxide?
The InChIKey is NNTGRTUPIAKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S2/c19-23(20)17-12-5-4-9-14(17)21-15-10-6-11-16(18(15)23)22-13-7-2-1-3-8-13/h1-12H.
What are the key properties of 1-phenylsulfanylphenoxathiine 10,10-dioxide?
1-phenylsulfanylphenoxathiine 10,10-dioxide has a molecular weight of 340.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10854648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).