2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene

C13H16S — CID 70566874

IUPAC2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
SMILESCC1(C)CC1C=CSc1ccccc1
InChIInChI=1S/C13H16S/c1-13(2)10-11(13)8-9-14-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyFVEHLJBVLKZFPV-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.34
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene

2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene (PubChem CID 70566874) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
PubChem CID70566874
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
SMILESCC1(C)CC1C=CSc1ccccc1
InChIInChI=1S/C13H16S/c1-13(2)10-11(13)8-9-14-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyFVEHLJBVLKZFPV-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene (CID 70566874) is 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene is CC1(C)CC1C=CSc1ccccc1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene?
The InChIKey is FVEHLJBVLKZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-13(2)10-11(13)8-9-14-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene?
2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene has a molecular weight of 204.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene is sourced from PubChem (CID 70566874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).