5,5-dipropyl-1,3-dithiane

C10H20S2 — CID 89275819

IUPAC5,5-dipropyl-1,3-dithiane
SMILESCCCC1(CCC)CSCSC1
InChIInChI=1S/C10H20S2/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3
InChIKeyXTURJRXXDXBJCF-UHFFFAOYSA-N
MW204.40 g/mol
LogP4.01
Rot. Bonds4

About 5,5-dipropyl-1,3-dithiane

5,5-dipropyl-1,3-dithiane (PubChem CID 89275819) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 5,5-dipropyl-1,3-dithiane.

Molecular Properties

Compound Name5,5-dipropyl-1,3-dithiane
PubChem CID89275819
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name5,5-dipropyl-1,3-dithiane
SMILESCCCC1(CCC)CSCSC1
InChIInChI=1S/C10H20S2/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3
InChIKeyXTURJRXXDXBJCF-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyl-1,3-dithiane?
The IUPAC name of 5,5-dipropyl-1,3-dithiane (CID 89275819) is 5,5-dipropyl-1,3-dithiane.
What is the SMILES notation for 5,5-dipropyl-1,3-dithiane?
The canonical SMILES for 5,5-dipropyl-1,3-dithiane is CCCC1(CCC)CSCSC1.
What is the InChIKey of 5,5-dipropyl-1,3-dithiane?
The InChIKey is XTURJRXXDXBJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3.
What are the key properties of 5,5-dipropyl-1,3-dithiane?
5,5-dipropyl-1,3-dithiane has a molecular weight of 204.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyl-1,3-dithiane is sourced from PubChem (CID 89275819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).