phenoxathiine

C12H8OS — CID 9217

IUPACphenoxathiine
SMILESc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
InChIKeyGJSGGHOYGKMUPT-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.94
Rot. Bonds

About phenoxathiine

phenoxathiine (PubChem CID 9217) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is phenoxathiine.

Molecular Properties

Compound Namephenoxathiine
PubChem CID9217
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Namephenoxathiine
SMILESc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
InChIKeyGJSGGHOYGKMUPT-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenoxathiine?
The IUPAC name of phenoxathiine (CID 9217) is phenoxathiine.
What is the SMILES notation for phenoxathiine?
The canonical SMILES for phenoxathiine is c1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of phenoxathiine?
The InChIKey is GJSGGHOYGKMUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H.
What are the key properties of phenoxathiine?
phenoxathiine has a molecular weight of 200.26 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxathiine is sourced from PubChem (CID 9217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).