1-methyl-4-prop-1-en-2-ylsulfanylbenzene

C10H12S — CID 14917572

IUPAC1-methyl-4-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccc(C)cc1
InChIInChI=1S/C10H12S/c1-8(2)11-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKeyZDFZJMWJBQZGHL-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.62
Rot. Bonds2

About 1-methyl-4-prop-1-en-2-ylsulfanylbenzene

1-methyl-4-prop-1-en-2-ylsulfanylbenzene (PubChem CID 14917572) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylsulfanylbenzene
PubChem CID14917572
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name1-methyl-4-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccc(C)cc1
InChIInChI=1S/C10H12S/c1-8(2)11-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKeyZDFZJMWJBQZGHL-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylsulfanylbenzene?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylsulfanylbenzene (CID 14917572) is 1-methyl-4-prop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylsulfanylbenzene is C=C(C)Sc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylsulfanylbenzene?
The InChIKey is ZDFZJMWJBQZGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-8(2)11-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylsulfanylbenzene?
1-methyl-4-prop-1-en-2-ylsulfanylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 14917572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).