2-fluoroethylsulfanylmethylbenzene

C9H11FS — CID 15639805

IUPAC2-fluoroethylsulfanylmethylbenzene
SMILESFCCSCc1ccccc1
InChIInChI=1S/C9H11FS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyPLVHCCCBHZXKPY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.89
Rot. Bonds4

About 2-fluoroethylsulfanylmethylbenzene

2-fluoroethylsulfanylmethylbenzene (PubChem CID 15639805) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-fluoroethylsulfanylmethylbenzene.

Molecular Properties

Compound Name2-fluoroethylsulfanylmethylbenzene
PubChem CID15639805
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name2-fluoroethylsulfanylmethylbenzene
SMILESFCCSCc1ccccc1
InChIInChI=1S/C9H11FS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyPLVHCCCBHZXKPY-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.89
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

3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
2-benzylsulfanylethyl(trifluoro)silane
CID 71331448
3,3,4,4,4-pentafluorobutylsulfanylmethylbenzene
CID 13459532
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
iodomethylsulfanylmethylbenzene
CID 12664832
4-(2-benzylsulfanylethyl)phenol
CID 160730782
4-benzylsulfanylbutylsulfanylbenzene
CID 10803322
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
4-benzylsulfanyl-1,1,1-trifluorobutan-2-one
CID 22752168
4-benzylsulfanylbutanoic acid
CID 22388924
4-benzylsulfanyl-2-oxobutanoic acid
CID 66780181

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethylsulfanylmethylbenzene?
The IUPAC name of 2-fluoroethylsulfanylmethylbenzene (CID 15639805) is 2-fluoroethylsulfanylmethylbenzene.
What is the SMILES notation for 2-fluoroethylsulfanylmethylbenzene?
The canonical SMILES for 2-fluoroethylsulfanylmethylbenzene is FCCSCc1ccccc1.
What is the InChIKey of 2-fluoroethylsulfanylmethylbenzene?
The InChIKey is PLVHCCCBHZXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-fluoroethylsulfanylmethylbenzene?
2-fluoroethylsulfanylmethylbenzene has a molecular weight of 170.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethylsulfanylmethylbenzene is sourced from PubChem (CID 15639805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).