2,2-dideuterio-4,6-dimethyl-1,3-dithiane

C6H12S2 — CID 134895105

IUPAC2,2-dideuterio-4,6-dimethyl-1,3-dithiane
SMILES[2H]C1([2H])SC(C)CC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D2
InChIKeyHHQVPMWNEKBAJZ-APZFVMQVSA-N
MW150.31 g/mol
LogP2.59
Rot. Bonds

About 2,2-dideuterio-4,6-dimethyl-1,3-dithiane

2,2-dideuterio-4,6-dimethyl-1,3-dithiane (PubChem CID 134895105) has the molecular formula C6H12S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 2,2-dideuterio-4,6-dimethyl-1,3-dithiane.

Molecular Properties

Compound Name2,2-dideuterio-4,6-dimethyl-1,3-dithiane
PubChem CID134895105
Molecular FormulaC6H12S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name2,2-dideuterio-4,6-dimethyl-1,3-dithiane
SMILES[2H]C1([2H])SC(C)CC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D2
InChIKeyHHQVPMWNEKBAJZ-APZFVMQVSA-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 ≤ 500150.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dithiane
CID 10451
2-Methyl-1,3-dithiane
CID 22329
Methyl 1-(methylthio)propyl disulfide
CID 521472
2-Ethyl-1,3-dithiane
CID 521915
Ethyl 1-(methylthio)propyl disulfide
CID 6429019
4,6-Diethyl-1,2,3,5-tetrathiane
CID 529378
2,5-Dimethyl-1,4-dithiane
CID 51520
4-Methyl-1,3-dithiane
CID 303710
2-Methylsulfanyl-1,3-dithiane
CID 303716
2,4,6-Trimethyl-1,3-dithiane
CID 303711
2,2-Dimethyl-1,3-dithiane
CID 521914
2,4-Dimethyl-1,3-dithiane
CID 525372

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-4,6-dimethyl-1,3-dithiane?
The IUPAC name of 2,2-dideuterio-4,6-dimethyl-1,3-dithiane (CID 134895105) is 2,2-dideuterio-4,6-dimethyl-1,3-dithiane.
What is the SMILES notation for 2,2-dideuterio-4,6-dimethyl-1,3-dithiane?
The canonical SMILES for 2,2-dideuterio-4,6-dimethyl-1,3-dithiane is [2H]C1([2H])SC(C)CC(C)S1.
What is the InChIKey of 2,2-dideuterio-4,6-dimethyl-1,3-dithiane?
The InChIKey is HHQVPMWNEKBAJZ-APZFVMQVSA-N. The full InChI is InChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D2.
What are the key properties of 2,2-dideuterio-4,6-dimethyl-1,3-dithiane?
2,2-dideuterio-4,6-dimethyl-1,3-dithiane has a molecular weight of 150.31 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 2,2-dideuterio-4,6-dimethyl-1,3-dithiane is sourced from PubChem (CID 134895105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).