2-propyl-1,3-dithiane

C7H14S2 — CID 11062707

IUPAC2-propyl-1,3-dithiane
SMILESCCCC1SCCCS1
InChIInChI=1S/C7H14S2/c1-2-4-7-8-5-3-6-9-7/h7H,2-6H2,1H3
InChIKeyIZLOHDBXZXGZCQ-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.98
Rot. Bonds2

About 2-propyl-1,3-dithiane

2-propyl-1,3-dithiane (PubChem CID 11062707) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-propyl-1,3-dithiane.

Molecular Properties

Compound Name2-propyl-1,3-dithiane
PubChem CID11062707
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-propyl-1,3-dithiane
SMILESCCCC1SCCCS1
InChIInChI=1S/C7H14S2/c1-2-4-7-8-5-3-6-9-7/h7H,2-6H2,1H3
InChIKeyIZLOHDBXZXGZCQ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-dithiane?
The IUPAC name of 2-propyl-1,3-dithiane (CID 11062707) is 2-propyl-1,3-dithiane.
What is the SMILES notation for 2-propyl-1,3-dithiane?
The canonical SMILES for 2-propyl-1,3-dithiane is CCCC1SCCCS1.
What is the InChIKey of 2-propyl-1,3-dithiane?
The InChIKey is IZLOHDBXZXGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-2-4-7-8-5-3-6-9-7/h7H,2-6H2,1H3.
What are the key properties of 2-propyl-1,3-dithiane?
2-propyl-1,3-dithiane has a molecular weight of 162.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-dithiane is sourced from PubChem (CID 11062707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).