1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene

C13H20S — CID 91302776

IUPAC1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene
SMILESCCc1c(C)c(C)c(SC)c(C)c1C
InChIInChI=1S/C13H20S/c1-7-12-8(2)10(4)13(14-6)11(5)9(12)3/h7H2,1-6H3
InChIKeyJZWLSWNLKDGJPO-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.20
Rot. Bonds2

About 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene

1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene (PubChem CID 91302776) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene
PubChem CID91302776
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene
SMILESCCc1c(C)c(C)c(SC)c(C)c1C
InChIInChI=1S/C13H20S/c1-7-12-8(2)10(4)13(14-6)11(5)9(12)3/h7H2,1-6H3
InChIKeyJZWLSWNLKDGJPO-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene?
The IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene (CID 91302776) is 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene is CCc1c(C)c(C)c(SC)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene?
The InChIKey is JZWLSWNLKDGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-7-12-8(2)10(4)13(14-6)11(5)9(12)3/h7H2,1-6H3.
What are the key properties of 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene?
1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene has a molecular weight of 208.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetramethyl-4-methylsulfanylbenzene is sourced from PubChem (CID 91302776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).