thionine 1-oxide

C8H8OS — CID 71333798

IUPACthionine 1-oxide
SMILESO=S1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C8H8OS/c9-10-7-5-3-1-2-4-6-8-10/h1-8H/b3-1-,4-2-,7-5-,8-6-
InChIKeyLFPNUQDENLOJSK-KZPCVFJPSA-N
MW152.22 g/mol
LogP1.89
Rot. Bonds

About thionine 1-oxide

thionine 1-oxide (PubChem CID 71333798) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is thionine 1-oxide.

Molecular Properties

Compound Namethionine 1-oxide
PubChem CID71333798
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Namethionine 1-oxide
SMILESO=S1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C8H8OS/c9-10-7-5-3-1-2-4-6-8-10/h1-8H/b3-1-,4-2-,7-5-,8-6-
InChIKeyLFPNUQDENLOJSK-KZPCVFJPSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thionine 1-oxide?
The IUPAC name of thionine 1-oxide (CID 71333798) is thionine 1-oxide.
What is the SMILES notation for thionine 1-oxide?
The canonical SMILES for thionine 1-oxide is O=S1/C=C\C=C/C=C\C=C/1.
What is the InChIKey of thionine 1-oxide?
The InChIKey is LFPNUQDENLOJSK-KZPCVFJPSA-N. The full InChI is InChI=1S/C8H8OS/c9-10-7-5-3-1-2-4-6-8-10/h1-8H/b3-1-,4-2-,7-5-,8-6-.
What are the key properties of thionine 1-oxide?
thionine 1-oxide has a molecular weight of 152.22 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thionine 1-oxide is sourced from PubChem (CID 71333798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).