2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane

C11H20S4 — CID 11196758

IUPAC2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane
SMILESC1CSC(CCCC2SCCCS2)SC1
InChIInChI=1S/C11H20S4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h10-11H,1-9H2
InChIKeyVLYZDYMURIOJJP-UHFFFAOYSA-N
MW280.55 g/mol
LogP4.55
Rot. Bonds4

About 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane

2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane (PubChem CID 11196758) has the molecular formula C11H20S4 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane
PubChem CID11196758
Molecular FormulaC11H20S4
Molecular Weight280.55 g/mol
Exact Mass280.04
IUPAC Name2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane
SMILESC1CSC(CCCC2SCCCS2)SC1
InChIInChI=1S/C11H20S4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h10-11H,1-9H2
InChIKeyVLYZDYMURIOJJP-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane?
The IUPAC name of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane (CID 11196758) is 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane.
What is the SMILES notation for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane?
The canonical SMILES for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane is C1CSC(CCCC2SCCCS2)SC1.
What is the InChIKey of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane?
The InChIKey is VLYZDYMURIOJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h10-11H,1-9H2.
What are the key properties of 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane?
2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane has a molecular weight of 280.55 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dithian-2-yl)propyl]-1,3-dithiane is sourced from PubChem (CID 11196758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).