2,6-dimethyl-1,4-dithiane

C6H12S2 — CID 525389

IUPAC2,6-dimethyl-1,4-dithiane
SMILESCC1CSCC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyVUMHVPHHEVBMOI-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.24
Rot. Bonds

About 2,6-dimethyl-1,4-dithiane

2,6-dimethyl-1,4-dithiane (PubChem CID 525389) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 2,6-dimethyl-1,4-dithiane.

Molecular Properties

Compound Name2,6-dimethyl-1,4-dithiane
PubChem CID525389
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name2,6-dimethyl-1,4-dithiane
SMILESCC1CSCC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyVUMHVPHHEVBMOI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dithiane
CID 10452
Propyl sulfide
CID 8118
1,3-Dithiane
CID 10451
Ethyl propyl sulfide
CID 20063
2,4,6-Trimethyl-1,3,5-trithiane
CID 17696
3-Methyl-1,2,4-trithiane
CID 65290
Butyl ethyl sulfide
CID 12528
2-Methyl-1,3-dithiane
CID 22329
Thiane
CID 15367
Isopropyl propyl sulfide
CID 78708
Propane, 1,3-bis(methylthio)-
CID 141161
2-(Ethylthio)butane
CID 521270

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,4-dithiane?
The IUPAC name of 2,6-dimethyl-1,4-dithiane (CID 525389) is 2,6-dimethyl-1,4-dithiane.
What is the SMILES notation for 2,6-dimethyl-1,4-dithiane?
The canonical SMILES for 2,6-dimethyl-1,4-dithiane is CC1CSCC(C)S1.
What is the InChIKey of 2,6-dimethyl-1,4-dithiane?
The InChIKey is VUMHVPHHEVBMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,4-dithiane?
2,6-dimethyl-1,4-dithiane has a molecular weight of 148.30 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,4-dithiane is sourced from PubChem (CID 525389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).