2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid

C17H16O2S — CID 3055392

IUPAC2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid
SMILESCC(SCC(=O)O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyLSIFHDCVJSZXJI-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.14
Rot. Bonds4

About 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid

2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid (PubChem CID 3055392) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid
PubChem CID3055392
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid
SMILESCC(SCC(=O)O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyLSIFHDCVJSZXJI-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid?
The IUPAC name of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid (CID 3055392) is 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid is CC(SCC(=O)O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid?
The InChIKey is LSIFHDCVJSZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid?
2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid has a molecular weight of 284.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid is sourced from PubChem (CID 3055392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).