1-ethenyl-4-methylsulfanylbenzene

C9H10S — CID 591603

IUPAC1-ethenyl-4-methylsulfanylbenzene
SMILESC=Cc1ccc(SC)cc1
InChIInChI=1S/C9H10S/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
InChIKeyGNYMDDZMQJEHQU-UHFFFAOYSA-N
MW150.25 g/mol
LogP3.05
Rot. Bonds2

About 1-ethenyl-4-methylsulfanylbenzene

1-ethenyl-4-methylsulfanylbenzene (PubChem CID 591603) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 1-ethenyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-methylsulfanylbenzene
PubChem CID591603
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name1-ethenyl-4-methylsulfanylbenzene
SMILESC=Cc1ccc(SC)cc1
InChIInChI=1S/C9H10S/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
InChIKeyGNYMDDZMQJEHQU-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylsulfanylbenzene?
The IUPAC name of 1-ethenyl-4-methylsulfanylbenzene (CID 591603) is 1-ethenyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-ethenyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-ethenyl-4-methylsulfanylbenzene is C=Cc1ccc(SC)cc1.
What is the InChIKey of 1-ethenyl-4-methylsulfanylbenzene?
The InChIKey is GNYMDDZMQJEHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-methylsulfanylbenzene?
1-ethenyl-4-methylsulfanylbenzene has a molecular weight of 150.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylsulfanylbenzene is sourced from PubChem (CID 591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).