10-sulfanylidenethioxanthen-9-one

C13H8OS2 — CID 175134680

IUPAC10-sulfanylidenethioxanthen-9-one
SMILESO=C1c2ccccc2S(=S)c2ccccc21
InChIInChI=1S/C13H8OS2/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13/h1-8H
InChIKeySRLJQMPSBAWRRW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds

About 10-sulfanylidenethioxanthen-9-one

10-sulfanylidenethioxanthen-9-one (PubChem CID 175134680) has the molecular formula C13H8OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 10-sulfanylidenethioxanthen-9-one.

Molecular Properties

Compound Name10-sulfanylidenethioxanthen-9-one
PubChem CID175134680
Molecular FormulaC13H8OS2
Molecular Weight244.34 g/mol
Exact Mass244.00
IUPAC Name10-sulfanylidenethioxanthen-9-one
SMILESO=C1c2ccccc2S(=S)c2ccccc21
InChIInChI=1S/C13H8OS2/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13/h1-8H
InChIKeySRLJQMPSBAWRRW-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cobalt;10-oxothioxanthen-9-one
CID 158047817
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;propane
CID 162068050
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148

Frequently Asked Questions

What is the IUPAC name of 10-sulfanylidenethioxanthen-9-one?
The IUPAC name of 10-sulfanylidenethioxanthen-9-one (CID 175134680) is 10-sulfanylidenethioxanthen-9-one.
What is the SMILES notation for 10-sulfanylidenethioxanthen-9-one?
The canonical SMILES for 10-sulfanylidenethioxanthen-9-one is O=C1c2ccccc2S(=S)c2ccccc21.
What is the InChIKey of 10-sulfanylidenethioxanthen-9-one?
The InChIKey is SRLJQMPSBAWRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8OS2/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 10-sulfanylidenethioxanthen-9-one?
10-sulfanylidenethioxanthen-9-one has a molecular weight of 244.34 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-sulfanylidenethioxanthen-9-one is sourced from PubChem (CID 175134680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).