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

C6H12S2 — CID 134937177

IUPAC2-deuterio-4,6-dimethyl-1,3-dithiane
SMILES[2H]C1SC(C)CC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D
InChIKeyHHQVPMWNEKBAJZ-QYKNYGDISA-N
MW149.30 g/mol
LogP2.59
Rot. Bonds

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

2-deuterio-4,6-dimethyl-1,3-dithiane (PubChem CID 134937177) has the molecular formula C6H12S2 and a molecular weight of 149.30 g/mol. Its IUPAC name is 2-deuterio-4,6-dimethyl-1,3-dithiane.

Molecular Properties

Compound Name2-deuterio-4,6-dimethyl-1,3-dithiane
PubChem CID134937177
Molecular FormulaC6H12S2
Molecular Weight149.30 g/mol
Exact Mass149.04
IUPAC Name2-deuterio-4,6-dimethyl-1,3-dithiane
SMILES[2H]C1SC(C)CC(C)S1
InChIInChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D
InChIKeyHHQVPMWNEKBAJZ-QYKNYGDISA-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 ≤ 500149.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-deuterio-4,6-dimethyl-1,3-dithiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4,6-dimethyl-1,3-dithiane?
The IUPAC name of 2-deuterio-4,6-dimethyl-1,3-dithiane (CID 134937177) is 2-deuterio-4,6-dimethyl-1,3-dithiane.
What is the SMILES notation for 2-deuterio-4,6-dimethyl-1,3-dithiane?
The canonical SMILES for 2-deuterio-4,6-dimethyl-1,3-dithiane is [2H]C1SC(C)CC(C)S1.
What is the InChIKey of 2-deuterio-4,6-dimethyl-1,3-dithiane?
The InChIKey is HHQVPMWNEKBAJZ-QYKNYGDISA-N. The full InChI is InChI=1S/C6H12S2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/i4D.
What are the key properties of 2-deuterio-4,6-dimethyl-1,3-dithiane?
2-deuterio-4,6-dimethyl-1,3-dithiane has a molecular weight of 149.30 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-deuterio-4,6-dimethyl-1,3-dithiane is sourced from PubChem (CID 134937177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).