2-(cyclopenten-1-yl)-1,3-dithiane

C9H14S2 — CID 101130720

IUPAC2-(cyclopenten-1-yl)-1,3-dithiane
SMILESC1=C(C2SCCCS2)CCC1
InChIInChI=1S/C9H14S2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h4,9H,1-3,5-7H2
InChIKeyYJUUENXFKYOOHY-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.29
Rot. Bonds1

About 2-(cyclopenten-1-yl)-1,3-dithiane

2-(cyclopenten-1-yl)-1,3-dithiane (PubChem CID 101130720) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1,3-dithiane.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1,3-dithiane
PubChem CID101130720
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name2-(cyclopenten-1-yl)-1,3-dithiane
SMILESC1=C(C2SCCCS2)CCC1
InChIInChI=1S/C9H14S2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h4,9H,1-3,5-7H2
InChIKeyYJUUENXFKYOOHY-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(cyclopenten-1-yl)-1,3-dithiane?
The IUPAC name of 2-(cyclopenten-1-yl)-1,3-dithiane (CID 101130720) is 2-(cyclopenten-1-yl)-1,3-dithiane.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1,3-dithiane?
The canonical SMILES for 2-(cyclopenten-1-yl)-1,3-dithiane is C1=C(C2SCCCS2)CCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1,3-dithiane?
The InChIKey is YJUUENXFKYOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h4,9H,1-3,5-7H2.
What are the key properties of 2-(cyclopenten-1-yl)-1,3-dithiane?
2-(cyclopenten-1-yl)-1,3-dithiane has a molecular weight of 186.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1,3-dithiane is sourced from PubChem (CID 101130720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).