(1-ethenylcyclobutyl)sulfanylbenzene

C12H14S — CID 15882644

IUPAC(1-ethenylcyclobutyl)sulfanylbenzene
SMILESC=CC1(Sc2ccccc2)CCC1
InChIInChI=1S/C12H14S/c1-2-12(9-6-10-12)13-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyZTMKEZGLHUKPFF-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.89
Rot. Bonds3

About (1-ethenylcyclobutyl)sulfanylbenzene

(1-ethenylcyclobutyl)sulfanylbenzene (PubChem CID 15882644) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is (1-ethenylcyclobutyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-ethenylcyclobutyl)sulfanylbenzene
PubChem CID15882644
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name(1-ethenylcyclobutyl)sulfanylbenzene
SMILESC=CC1(Sc2ccccc2)CCC1
InChIInChI=1S/C12H14S/c1-2-12(9-6-10-12)13-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyZTMKEZGLHUKPFF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclobutyl)sulfanylbenzene?
The IUPAC name of (1-ethenylcyclobutyl)sulfanylbenzene (CID 15882644) is (1-ethenylcyclobutyl)sulfanylbenzene.
What is the SMILES notation for (1-ethenylcyclobutyl)sulfanylbenzene?
The canonical SMILES for (1-ethenylcyclobutyl)sulfanylbenzene is C=CC1(Sc2ccccc2)CCC1.
What is the InChIKey of (1-ethenylcyclobutyl)sulfanylbenzene?
The InChIKey is ZTMKEZGLHUKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-12(9-6-10-12)13-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2.
What are the key properties of (1-ethenylcyclobutyl)sulfanylbenzene?
(1-ethenylcyclobutyl)sulfanylbenzene has a molecular weight of 190.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclobutyl)sulfanylbenzene is sourced from PubChem (CID 15882644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).