1-(fluoromethylsulfanyl)propane

C4H9FS — CID 54299966

IUPAC1-(fluoromethylsulfanyl)propane
SMILESCCCSCF
InChIInChI=1S/C4H9FS/c1-2-3-6-4-5/h2-4H2,1H3
InChIKeyZNUKZSBGRZZBEC-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.06
Rot. Bonds3

About 1-(fluoromethylsulfanyl)propane

1-(fluoromethylsulfanyl)propane (PubChem CID 54299966) has the molecular formula C4H9FS and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-(fluoromethylsulfanyl)propane.

Molecular Properties

Compound Name1-(fluoromethylsulfanyl)propane
PubChem CID54299966
Molecular FormulaC4H9FS
Molecular Weight108.18 g/mol
Exact Mass108.04
IUPAC Name1-(fluoromethylsulfanyl)propane
SMILESCCCSCF
InChIInChI=1S/C4H9FS/c1-2-3-6-4-5/h2-4H2,1H3
InChIKeyZNUKZSBGRZZBEC-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.06
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

Propyl sulfide
CID 8118
Ethyl propyl sulfide
CID 20063
Butyl methyl sulfide
CID 12339
Methyl propyl sulphide
CID 19754
Butyl ethyl sulfide
CID 12528
Amyl Methyl Sulfide
CID 15620
Isopropyl propyl sulfide
CID 78708
2-(Methylthio)butane
CID 93062
Propane, 1,3-bis(methylthio)-
CID 141161
2-(Ethylthio)butane
CID 521270
2,7-Dithiaoctane
CID 246991
Methyl (1-methylbutyl) sulfide
CID 524271

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfanyl)propane?
The IUPAC name of 1-(fluoromethylsulfanyl)propane (CID 54299966) is 1-(fluoromethylsulfanyl)propane.
What is the SMILES notation for 1-(fluoromethylsulfanyl)propane?
The canonical SMILES for 1-(fluoromethylsulfanyl)propane is CCCSCF.
What is the InChIKey of 1-(fluoromethylsulfanyl)propane?
The InChIKey is ZNUKZSBGRZZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS/c1-2-3-6-4-5/h2-4H2,1H3.
What are the key properties of 1-(fluoromethylsulfanyl)propane?
1-(fluoromethylsulfanyl)propane has a molecular weight of 108.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfanyl)propane is sourced from PubChem (CID 54299966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).