1-ethyl-4-methylsulfanylbenzene

C9H12S — CID 2758905

IUPAC1-ethyl-4-methylsulfanylbenzene
SMILESCCc1ccc(SC)cc1
InChIInChI=1S/C9H12S/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyHETCYASWPLGPGT-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.97
Rot. Bonds2

About 1-ethyl-4-methylsulfanylbenzene

1-ethyl-4-methylsulfanylbenzene (PubChem CID 2758905) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylbenzene
PubChem CID2758905
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name1-ethyl-4-methylsulfanylbenzene
SMILESCCc1ccc(SC)cc1
InChIInChI=1S/C9H12S/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyHETCYASWPLGPGT-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylbenzene?
The IUPAC name of 1-ethyl-4-methylsulfanylbenzene (CID 2758905) is 1-ethyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-ethyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-ethyl-4-methylsulfanylbenzene is CCc1ccc(SC)cc1.
What is the InChIKey of 1-ethyl-4-methylsulfanylbenzene?
The InChIKey is HETCYASWPLGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylbenzene?
1-ethyl-4-methylsulfanylbenzene has a molecular weight of 152.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylbenzene is sourced from PubChem (CID 2758905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).