1-(ethylsulfanylmethyl)-2,4-difluorobenzene

C9H10F2S — CID 91657273

IUPAC1-(ethylsulfanylmethyl)-2,4-difluorobenzene
SMILESCCSCc1ccc(F)cc1F
InChIInChI=1S/C9H10F2S/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5H,2,6H2,1H3
InChIKeyJMQMTCBGICCYPK-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.22
Rot. Bonds3

About 1-(ethylsulfanylmethyl)-2,4-difluorobenzene

1-(ethylsulfanylmethyl)-2,4-difluorobenzene (PubChem CID 91657273) has the molecular formula C9H10F2S and a molecular weight of 188.24 g/mol. Its IUPAC name is 1-(ethylsulfanylmethyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(ethylsulfanylmethyl)-2,4-difluorobenzene
PubChem CID91657273
Molecular FormulaC9H10F2S
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name1-(ethylsulfanylmethyl)-2,4-difluorobenzene
SMILESCCSCc1ccc(F)cc1F
InChIInChI=1S/C9H10F2S/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5H,2,6H2,1H3
InChIKeyJMQMTCBGICCYPK-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66227194
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
CID 117174340
2,4-difluoro-1-pentylbenzene
CID 20770613
2-chloro-4-fluoro-1-(propylsulfanylmethyl)benzene
CID 112815536
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-amino-4-[(2,4-difluorophenyl)methylsulfanyl]butanoic acid
CID 62197014
2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
CID 117176433
1-chloro-3-[(2,4-difluorophenyl)methylsulfanyl]-5-fluorobenzene
CID 91657426
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethyl)-2,4-difluorobenzene?
The IUPAC name of 1-(ethylsulfanylmethyl)-2,4-difluorobenzene (CID 91657273) is 1-(ethylsulfanylmethyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(ethylsulfanylmethyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(ethylsulfanylmethyl)-2,4-difluorobenzene is CCSCc1ccc(F)cc1F.
What is the InChIKey of 1-(ethylsulfanylmethyl)-2,4-difluorobenzene?
The InChIKey is JMQMTCBGICCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2S/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-(ethylsulfanylmethyl)-2,4-difluorobenzene?
1-(ethylsulfanylmethyl)-2,4-difluorobenzene has a molecular weight of 188.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethyl)-2,4-difluorobenzene is sourced from PubChem (CID 91657273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).