2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene

C12H14S — CID 118269230

IUPAC2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene
SMILESC=Cc1cccc(SC)c1C1CC1
InChIInChI=1S/C12H14S/c1-3-9-5-4-6-11(13-2)12(9)10-7-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyWMUUCPLZBVDLDQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.93
Rot. Bonds3

About 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene

2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene (PubChem CID 118269230) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene
PubChem CID118269230
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene
SMILESC=Cc1cccc(SC)c1C1CC1
InChIInChI=1S/C12H14S/c1-3-9-5-4-6-11(13-2)12(9)10-7-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyWMUUCPLZBVDLDQ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene?
The IUPAC name of 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene (CID 118269230) is 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene.
What is the SMILES notation for 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene?
The canonical SMILES for 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene is C=Cc1cccc(SC)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene?
The InChIKey is WMUUCPLZBVDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-3-9-5-4-6-11(13-2)12(9)10-7-8-10/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene?
2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene has a molecular weight of 190.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene is sourced from PubChem (CID 118269230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).