2-methyl-7-sulfanylfluoren-9-one

C14H10OS — CID 148861091

IUPAC2-methyl-7-sulfanylfluoren-9-one
SMILESCc1ccc2c(c1)C(=O)c1cc(S)ccc1-2
InChIInChI=1S/C14H10OS/c1-8-2-4-10-11-5-3-9(16)7-13(11)14(15)12(10)6-8/h2-7,16H,1H3
InChIKeyOZIQMEIQGBCXFR-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.50
Rot. Bonds

About 2-methyl-7-sulfanylfluoren-9-one

2-methyl-7-sulfanylfluoren-9-one (PubChem CID 148861091) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-7-sulfanylfluoren-9-one.

Molecular Properties

Compound Name2-methyl-7-sulfanylfluoren-9-one
PubChem CID148861091
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name2-methyl-7-sulfanylfluoren-9-one
SMILESCc1ccc2c(c1)C(=O)c1cc(S)ccc1-2
InChIInChI=1S/C14H10OS/c1-8-2-4-10-11-5-3-9(16)7-13(11)14(15)12(10)6-8/h2-7,16H,1H3
InChIKeyOZIQMEIQGBCXFR-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-sulfanylfluoren-9-one?
The IUPAC name of 2-methyl-7-sulfanylfluoren-9-one (CID 148861091) is 2-methyl-7-sulfanylfluoren-9-one.
What is the SMILES notation for 2-methyl-7-sulfanylfluoren-9-one?
The canonical SMILES for 2-methyl-7-sulfanylfluoren-9-one is Cc1ccc2c(c1)C(=O)c1cc(S)ccc1-2.
What is the InChIKey of 2-methyl-7-sulfanylfluoren-9-one?
The InChIKey is OZIQMEIQGBCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-8-2-4-10-11-5-3-9(16)7-13(11)14(15)12(10)6-8/h2-7,16H,1H3.
What are the key properties of 2-methyl-7-sulfanylfluoren-9-one?
2-methyl-7-sulfanylfluoren-9-one has a molecular weight of 226.30 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-sulfanylfluoren-9-one is sourced from PubChem (CID 148861091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).