4-(cyclohexen-1-yl)-1,3-dithiol-2-one

C9H10OS2 — CID 15184769

IUPAC4-(cyclohexen-1-yl)-1,3-dithiol-2-one
SMILESO=c1scc(C2=CCCCC2)s1
InChIInChI=1S/C9H10OS2/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyZXIVNSPUBBEIPH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds1

About 4-(cyclohexen-1-yl)-1,3-dithiol-2-one

4-(cyclohexen-1-yl)-1,3-dithiol-2-one (PubChem CID 15184769) has the molecular formula C9H10OS2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1,3-dithiol-2-one.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1,3-dithiol-2-one
PubChem CID15184769
Molecular FormulaC9H10OS2
Molecular Weight198.31 g/mol
Exact Mass198.02
IUPAC Name4-(cyclohexen-1-yl)-1,3-dithiol-2-one
SMILESO=c1scc(C2=CCCCC2)s1
InChIInChI=1S/C9H10OS2/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyZXIVNSPUBBEIPH-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1,3-dithiol-2-one?
The IUPAC name of 4-(cyclohexen-1-yl)-1,3-dithiol-2-one (CID 15184769) is 4-(cyclohexen-1-yl)-1,3-dithiol-2-one.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1,3-dithiol-2-one?
The canonical SMILES for 4-(cyclohexen-1-yl)-1,3-dithiol-2-one is O=c1scc(C2=CCCCC2)s1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1,3-dithiol-2-one?
The InChIKey is ZXIVNSPUBBEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS2/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h4,6H,1-3,5H2.
What are the key properties of 4-(cyclohexen-1-yl)-1,3-dithiol-2-one?
4-(cyclohexen-1-yl)-1,3-dithiol-2-one has a molecular weight of 198.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1,3-dithiol-2-one is sourced from PubChem (CID 15184769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).