2-(3-sulfanylprop-1-ynyl)fluoren-9-one

C16H10OS — CID 169487549

IUPAC2-(3-sulfanylprop-1-ynyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C#CCS)cc21
InChIInChI=1S/C16H10OS/c17-16-14-6-2-1-5-12(14)13-8-7-11(4-3-9-18)10-15(13)16/h1-2,5-8,10,18H,9H2
InChIKeyGOSQTYRPKRDUKS-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.18
Rot. Bonds

About 2-(3-sulfanylprop-1-ynyl)fluoren-9-one

2-(3-sulfanylprop-1-ynyl)fluoren-9-one (PubChem CID 169487549) has the molecular formula C16H10OS and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-sulfanylprop-1-ynyl)fluoren-9-one.

Molecular Properties

Compound Name2-(3-sulfanylprop-1-ynyl)fluoren-9-one
PubChem CID169487549
Molecular FormulaC16H10OS
Molecular Weight250.32 g/mol
Exact Mass250.05
IUPAC Name2-(3-sulfanylprop-1-ynyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C#CCS)cc21
InChIInChI=1S/C16H10OS/c17-16-14-6-2-1-5-12(14)13-8-7-11(4-3-9-18)10-15(13)16/h1-2,5-8,10,18H,9H2
InChIKeyGOSQTYRPKRDUKS-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanylprop-1-ynyl)fluoren-9-one?
The IUPAC name of 2-(3-sulfanylprop-1-ynyl)fluoren-9-one (CID 169487549) is 2-(3-sulfanylprop-1-ynyl)fluoren-9-one.
What is the SMILES notation for 2-(3-sulfanylprop-1-ynyl)fluoren-9-one?
The canonical SMILES for 2-(3-sulfanylprop-1-ynyl)fluoren-9-one is O=C1c2ccccc2-c2ccc(C#CCS)cc21.
What is the InChIKey of 2-(3-sulfanylprop-1-ynyl)fluoren-9-one?
The InChIKey is GOSQTYRPKRDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS/c17-16-14-6-2-1-5-12(14)13-8-7-11(4-3-9-18)10-15(13)16/h1-2,5-8,10,18H,9H2.
What are the key properties of 2-(3-sulfanylprop-1-ynyl)fluoren-9-one?
2-(3-sulfanylprop-1-ynyl)fluoren-9-one has a molecular weight of 250.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylprop-1-ynyl)fluoren-9-one is sourced from PubChem (CID 169487549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).