9,9-bis(ethylsulfanyl)fluorene

C17H18S2 — CID 12616130

IUPAC9,9-bis(ethylsulfanyl)fluorene
SMILESCCSC1(SCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18S2/c1-3-18-17(19-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3
InChIKeyRKGVSQLOVZXJLU-UHFFFAOYSA-N
MW286.47 g/mol
LogP5.37
Rot. Bonds4

About 9,9-bis(ethylsulfanyl)fluorene

9,9-bis(ethylsulfanyl)fluorene (PubChem CID 12616130) has the molecular formula C17H18S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 9,9-bis(ethylsulfanyl)fluorene.

Molecular Properties

Compound Name9,9-bis(ethylsulfanyl)fluorene
PubChem CID12616130
Molecular FormulaC17H18S2
Molecular Weight286.47 g/mol
Exact Mass286.08
IUPAC Name9,9-bis(ethylsulfanyl)fluorene
SMILESCCSC1(SCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18S2/c1-3-18-17(19-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3
InChIKeyRKGVSQLOVZXJLU-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.47
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9-methyl-9-propylfluorene
CID 13283188
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
S-[9-(dimethylcarbamoylsulfanyl)fluoren-9-yl] N,N-dimethylcarbamothioate
CID 101402440
(9-ethylfluoren-9-yl)methanethiol
CID 167224564
9-ethyl-9-propylfluorene
CID 123584741
9-ethyl-9-propan-2-ylfluorene
CID 142424661
3-methylspiro[azirine-2,9'-fluorene]
CID 13480601
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(ethylsulfanyl)fluorene?
The IUPAC name of 9,9-bis(ethylsulfanyl)fluorene (CID 12616130) is 9,9-bis(ethylsulfanyl)fluorene.
What is the SMILES notation for 9,9-bis(ethylsulfanyl)fluorene?
The canonical SMILES for 9,9-bis(ethylsulfanyl)fluorene is CCSC1(SCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis(ethylsulfanyl)fluorene?
The InChIKey is RKGVSQLOVZXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S2/c1-3-18-17(19-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3.
What are the key properties of 9,9-bis(ethylsulfanyl)fluorene?
9,9-bis(ethylsulfanyl)fluorene has a molecular weight of 286.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(ethylsulfanyl)fluorene is sourced from PubChem (CID 12616130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).