2,7-bis(methylsulfanyl)fluoren-9-one

C15H12OS2 — CID 175439265

IUPAC2,7-bis(methylsulfanyl)fluoren-9-one
SMILESCSc1ccc2c(c1)C(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C15H12OS2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)15(16)13(11)7-9/h3-8H,1-2H3
InChIKeyIGTJCGAIWZSFEO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.34
Rot. Bonds2

About 2,7-bis(methylsulfanyl)fluoren-9-one

2,7-bis(methylsulfanyl)fluoren-9-one (PubChem CID 175439265) has the molecular formula C15H12OS2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,7-bis(methylsulfanyl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(methylsulfanyl)fluoren-9-one
PubChem CID175439265
Molecular FormulaC15H12OS2
Molecular Weight272.39 g/mol
Exact Mass272.03
IUPAC Name2,7-bis(methylsulfanyl)fluoren-9-one
SMILESCSc1ccc2c(c1)C(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C15H12OS2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)15(16)13(11)7-9/h3-8H,1-2H3
InChIKeyIGTJCGAIWZSFEO-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methylpropyl)-5-methylsulfanylinden-1-one
CID 139792633
2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one
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2-(2,5-dioxopyrrolidin-3-yl)-5-methylsulfanylisoindole-1,3-dione
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methane;4-methylsulfanyl-10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one;4-methylsulfanyl-10,12,13,14,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one;5-methylsulfanyl-10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one;5-methylsulfanyl-10,12,13,14,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one
CID 159022111
4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(methylsulfanyl)fluoren-9-one?
The IUPAC name of 2,7-bis(methylsulfanyl)fluoren-9-one (CID 175439265) is 2,7-bis(methylsulfanyl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(methylsulfanyl)fluoren-9-one?
The canonical SMILES for 2,7-bis(methylsulfanyl)fluoren-9-one is CSc1ccc2c(c1)C(=O)c1cc(SC)ccc1-2.
What is the InChIKey of 2,7-bis(methylsulfanyl)fluoren-9-one?
The InChIKey is IGTJCGAIWZSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)15(16)13(11)7-9/h3-8H,1-2H3.
What are the key properties of 2,7-bis(methylsulfanyl)fluoren-9-one?
2,7-bis(methylsulfanyl)fluoren-9-one has a molecular weight of 272.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(methylsulfanyl)fluoren-9-one is sourced from PubChem (CID 175439265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).