1,1-dimethyl-1,4-dithiane

C6H14S2 — CID 130329490

IUPAC1,1-dimethyl-1,4-dithiane
SMILESCS1(C)CCSCC1
InChIInChI=1S/C6H14S2/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3
InChIKeyPRRQILAPCXESGX-UHFFFAOYSA-N
MW150.31 g/mol
LogP1.80
Rot. Bonds

About 1,1-dimethyl-1,4-dithiane

1,1-dimethyl-1,4-dithiane (PubChem CID 130329490) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 1,1-dimethyl-1,4-dithiane.

Molecular Properties

Compound Name1,1-dimethyl-1,4-dithiane
PubChem CID130329490
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name1,1-dimethyl-1,4-dithiane
SMILESCS1(C)CCSCC1
InChIInChI=1S/C6H14S2/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3
InChIKeyPRRQILAPCXESGX-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1,4-dithiane?
The IUPAC name of 1,1-dimethyl-1,4-dithiane (CID 130329490) is 1,1-dimethyl-1,4-dithiane.
What is the SMILES notation for 1,1-dimethyl-1,4-dithiane?
The canonical SMILES for 1,1-dimethyl-1,4-dithiane is CS1(C)CCSCC1.
What is the InChIKey of 1,1-dimethyl-1,4-dithiane?
The InChIKey is PRRQILAPCXESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-8(2)5-3-7-4-6-8/h3-6H2,1-2H3.
What are the key properties of 1,1-dimethyl-1,4-dithiane?
1,1-dimethyl-1,4-dithiane has a molecular weight of 150.31 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1,4-dithiane is sourced from PubChem (CID 130329490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).