2-(9-methylfluoren-9-yl)sulfanylacetic acid

C16H14O2S — CID 86076977

IUPAC2-(9-methylfluoren-9-yl)sulfanylacetic acid
SMILESCC1(SCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2S/c1-16(19-10-15(17)18)13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyORFLKBQRPCGNBA-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.75
Rot. Bonds3

About 2-(9-methylfluoren-9-yl)sulfanylacetic acid

2-(9-methylfluoren-9-yl)sulfanylacetic acid (PubChem CID 86076977) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(9-methylfluoren-9-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(9-methylfluoren-9-yl)sulfanylacetic acid
PubChem CID86076977
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-(9-methylfluoren-9-yl)sulfanylacetic acid
SMILESCC1(SCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2S/c1-16(19-10-15(17)18)13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyORFLKBQRPCGNBA-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methylfluoren-9-yl)sulfanylacetic acid?
The IUPAC name of 2-(9-methylfluoren-9-yl)sulfanylacetic acid (CID 86076977) is 2-(9-methylfluoren-9-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(9-methylfluoren-9-yl)sulfanylacetic acid?
The canonical SMILES for 2-(9-methylfluoren-9-yl)sulfanylacetic acid is CC1(SCC(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9-methylfluoren-9-yl)sulfanylacetic acid?
The InChIKey is ORFLKBQRPCGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-16(19-10-15(17)18)13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(9-methylfluoren-9-yl)sulfanylacetic acid?
2-(9-methylfluoren-9-yl)sulfanylacetic acid has a molecular weight of 270.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylfluoren-9-yl)sulfanylacetic acid is sourced from PubChem (CID 86076977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).