1-(ethylsulfanylmethyl)-2-fluorobenzene

C9H11FS — CID 56628452

IUPAC1-(ethylsulfanylmethyl)-2-fluorobenzene
SMILESCCSCc1ccccc1F
InChIInChI=1S/C9H11FS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3
InChIKeyLMVSAWQFQYNZQR-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.08
Rot. Bonds3

About 1-(ethylsulfanylmethyl)-2-fluorobenzene

1-(ethylsulfanylmethyl)-2-fluorobenzene (PubChem CID 56628452) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(ethylsulfanylmethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(ethylsulfanylmethyl)-2-fluorobenzene
PubChem CID56628452
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name1-(ethylsulfanylmethyl)-2-fluorobenzene
SMILESCCSCc1ccccc1F
InChIInChI=1S/C9H11FS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3
InChIKeyLMVSAWQFQYNZQR-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethyl)-2-fluorobenzene?
The IUPAC name of 1-(ethylsulfanylmethyl)-2-fluorobenzene (CID 56628452) is 1-(ethylsulfanylmethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(ethylsulfanylmethyl)-2-fluorobenzene?
The canonical SMILES for 1-(ethylsulfanylmethyl)-2-fluorobenzene is CCSCc1ccccc1F.
What is the InChIKey of 1-(ethylsulfanylmethyl)-2-fluorobenzene?
The InChIKey is LMVSAWQFQYNZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3.
What are the key properties of 1-(ethylsulfanylmethyl)-2-fluorobenzene?
1-(ethylsulfanylmethyl)-2-fluorobenzene has a molecular weight of 170.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethyl)-2-fluorobenzene is sourced from PubChem (CID 56628452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).