5-(9H-fluoren-1-yl)pentane-1-thiol

C18H20S — CID 141354890

IUPAC5-(9H-fluoren-1-yl)pentane-1-thiol
SMILESSCCCCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H20S/c19-12-5-1-2-7-14-9-6-11-17-16-10-4-3-8-15(16)13-18(14)17/h3-4,6,8-11,19H,1-2,5,7,12-13H2
InChIKeyNWLDHSQWTNCVMC-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.90
Rot. Bonds5

About 5-(9H-fluoren-1-yl)pentane-1-thiol

5-(9H-fluoren-1-yl)pentane-1-thiol (PubChem CID 141354890) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(9H-fluoren-1-yl)pentane-1-thiol.

Molecular Properties

Compound Name5-(9H-fluoren-1-yl)pentane-1-thiol
PubChem CID141354890
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name5-(9H-fluoren-1-yl)pentane-1-thiol
SMILESSCCCCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H20S/c19-12-5-1-2-7-14-9-6-11-17-16-10-4-3-8-15(16)13-18(14)17/h3-4,6,8-11,19H,1-2,5,7,12-13H2
InChIKeyNWLDHSQWTNCVMC-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303
dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
CID 87823992
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
5-(2-phenylphenyl)pentane-1-thiol
CID 10753589
1-(2-methylpropyl)-9H-fluorene
CID 87557268
1,2-dihexyl-9H-fluorene
CID 22141601

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-1-yl)pentane-1-thiol?
The IUPAC name of 5-(9H-fluoren-1-yl)pentane-1-thiol (CID 141354890) is 5-(9H-fluoren-1-yl)pentane-1-thiol.
What is the SMILES notation for 5-(9H-fluoren-1-yl)pentane-1-thiol?
The canonical SMILES for 5-(9H-fluoren-1-yl)pentane-1-thiol is SCCCCCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 5-(9H-fluoren-1-yl)pentane-1-thiol?
The InChIKey is NWLDHSQWTNCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c19-12-5-1-2-7-14-9-6-11-17-16-10-4-3-8-15(16)13-18(14)17/h3-4,6,8-11,19H,1-2,5,7,12-13H2.
What are the key properties of 5-(9H-fluoren-1-yl)pentane-1-thiol?
5-(9H-fluoren-1-yl)pentane-1-thiol has a molecular weight of 268.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-1-yl)pentane-1-thiol is sourced from PubChem (CID 141354890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).