2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane

C10H12S2 — CID 86116213

IUPAC2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane
SMILESC1=CC(=C2SCCCCS2)C=C1
InChIInChI=1S/C10H12S2/c1-2-6-9(5-1)10-11-7-3-4-8-12-10/h1-2,5-6H,3-4,7-8H2
InChIKeyQUDAZWRUFXXSHI-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.58
Rot. Bonds

About 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane

2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane (PubChem CID 86116213) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane
PubChem CID86116213
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane
SMILESC1=CC(=C2SCCCCS2)C=C1
InChIInChI=1S/C10H12S2/c1-2-6-9(5-1)10-11-7-3-4-8-12-10/h1-2,5-6H,3-4,7-8H2
InChIKeyQUDAZWRUFXXSHI-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane (CID 86116213) is 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane is C1=CC(=C2SCCCCS2)C=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane?
The InChIKey is QUDAZWRUFXXSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-2-6-9(5-1)10-11-7-3-4-8-12-10/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane?
2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane has a molecular weight of 196.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiepane is sourced from PubChem (CID 86116213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).