1-(fluoromethylsulfanyl)pentane

C6H13FS — CID 59049881

IUPAC1-(fluoromethylsulfanyl)pentane
SMILESCCCCCSCF
InChIInChI=1S/C6H13FS/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyBPDQAMBHKPTLFB-UHFFFAOYSA-N
MW136.23 g/mol
LogP2.84
Rot. Bonds5

About 1-(fluoromethylsulfanyl)pentane

1-(fluoromethylsulfanyl)pentane (PubChem CID 59049881) has the molecular formula C6H13FS and a molecular weight of 136.23 g/mol. Its IUPAC name is 1-(fluoromethylsulfanyl)pentane.

Molecular Properties

Compound Name1-(fluoromethylsulfanyl)pentane
PubChem CID59049881
Molecular FormulaC6H13FS
Molecular Weight136.23 g/mol
Exact Mass136.07
IUPAC Name1-(fluoromethylsulfanyl)pentane
SMILESCCCCCSCF
InChIInChI=1S/C6H13FS/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyBPDQAMBHKPTLFB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butyl methyl sulfide
CID 12339
Methyl propyl sulphide
CID 19754
Amyl Methyl Sulfide
CID 15620
2-(Methylthio)butane
CID 93062
Methyl (1-methylbutyl) sulfide
CID 524271
(1R,2R)-1-Fluoro-2-methylsulfanylcyclohexane
CID 14113327
3-(Methylsulfanyl)pentane
CID 23563984
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Hexyl(trifluoromethyl) sulfide
CID 21730948
Butyl fluoromethanedithioate
CID 134917051

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfanyl)pentane?
The IUPAC name of 1-(fluoromethylsulfanyl)pentane (CID 59049881) is 1-(fluoromethylsulfanyl)pentane.
What is the SMILES notation for 1-(fluoromethylsulfanyl)pentane?
The canonical SMILES for 1-(fluoromethylsulfanyl)pentane is CCCCCSCF.
What is the InChIKey of 1-(fluoromethylsulfanyl)pentane?
The InChIKey is BPDQAMBHKPTLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FS/c1-2-3-4-5-8-6-7/h2-6H2,1H3.
What are the key properties of 1-(fluoromethylsulfanyl)pentane?
1-(fluoromethylsulfanyl)pentane has a molecular weight of 136.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfanyl)pentane is sourced from PubChem (CID 59049881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).