1-(18F)fluoropentane-2-thiol

C5H11FS — CID 11701036

IUPAC1-(18F)fluoropentane-2-thiol
SMILESCCCC(S)C[18F]
InChIInChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3/i6-1
InChIKeyNHBBYRQWJBHLPO-KWCOIAHCSA-N
MW121.21 g/mol
LogP2.05
Rot. Bonds3

About 1-(18F)fluoropentane-2-thiol

1-(18F)fluoropentane-2-thiol (PubChem CID 11701036) has the molecular formula C5H11FS and a molecular weight of 121.21 g/mol. Its IUPAC name is 1-(18F)fluoropentane-2-thiol.

Molecular Properties

Compound Name1-(18F)fluoropentane-2-thiol
PubChem CID11701036
Molecular FormulaC5H11FS
Molecular Weight121.21 g/mol
Exact Mass121.06
IUPAC Name1-(18F)fluoropentane-2-thiol
SMILESCCCC(S)C[18F]
InChIInChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3/i6-1
InChIKeyNHBBYRQWJBHLPO-KWCOIAHCSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 12627260
heptane-1,2,4-trithiol
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1-iodobutane-1-thiol
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(Z)-1-fluorohept-2-ene-4-thiol
CID 139395144
(6S)-3-methylnonane-3,6-dithiol
CID 139372647
butane;bis(1-sulfanylbutan-1-ol)
CID 88805190
1,1-difluorobutane;ethane
CID 164925096
dodecane-6-thiol
CID 18757094
3-sulfanylhexyl acetate
CID 518810
bis(3-sulfanylhexyl) butanedioate
CID 91312446

Frequently Asked Questions

What is the IUPAC name of 1-(18F)fluoropentane-2-thiol?
The IUPAC name of 1-(18F)fluoropentane-2-thiol (CID 11701036) is 1-(18F)fluoropentane-2-thiol.
What is the SMILES notation for 1-(18F)fluoropentane-2-thiol?
The canonical SMILES for 1-(18F)fluoropentane-2-thiol is CCCC(S)C[18F].
What is the InChIKey of 1-(18F)fluoropentane-2-thiol?
The InChIKey is NHBBYRQWJBHLPO-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3/i6-1.
What are the key properties of 1-(18F)fluoropentane-2-thiol?
1-(18F)fluoropentane-2-thiol has a molecular weight of 121.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18F)fluoropentane-2-thiol is sourced from PubChem (CID 11701036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).