2,4-dimethyl-1,3-dithiane

C6H12S2 — CID 525372

IUPAC2,4-dimethyl-1,3-dithiane
SMILESCC1CCSC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyXRBWKNMCKYCXOI-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.59
Rot. Bonds

About 2,4-dimethyl-1,3-dithiane

2,4-dimethyl-1,3-dithiane (PubChem CID 525372) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dithiane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dithiane
PubChem CID525372
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name2,4-dimethyl-1,3-dithiane
SMILESCC1CCSC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyXRBWKNMCKYCXOI-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dithiane?
The IUPAC name of 2,4-dimethyl-1,3-dithiane (CID 525372) is 2,4-dimethyl-1,3-dithiane.
What is the SMILES notation for 2,4-dimethyl-1,3-dithiane?
The canonical SMILES for 2,4-dimethyl-1,3-dithiane is CC1CCSC(C)S1.
What is the InChIKey of 2,4-dimethyl-1,3-dithiane?
The InChIKey is XRBWKNMCKYCXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-dithiane?
2,4-dimethyl-1,3-dithiane has a molecular weight of 148.30 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dithiane is sourced from PubChem (CID 525372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).