2-(dichloromethyl)-2-methyl-1,3-dithiane

C6H10Cl2S2 — CID 22238776

IUPAC2-(dichloromethyl)-2-methyl-1,3-dithiane
SMILESCC1(C(Cl)Cl)SCCCS1
InChIInChI=1S/C6H10Cl2S2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3
InChIKeyDMRGIAWAXUPICA-UHFFFAOYSA-N
MW217.19 g/mol
LogP3.38
Rot. Bonds1

About 2-(dichloromethyl)-2-methyl-1,3-dithiane

2-(dichloromethyl)-2-methyl-1,3-dithiane (PubChem CID 22238776) has the molecular formula C6H10Cl2S2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(dichloromethyl)-2-methyl-1,3-dithiane.

Molecular Properties

Compound Name2-(dichloromethyl)-2-methyl-1,3-dithiane
PubChem CID22238776
Molecular FormulaC6H10Cl2S2
Molecular Weight217.19 g/mol
Exact Mass215.96
IUPAC Name2-(dichloromethyl)-2-methyl-1,3-dithiane
SMILESCC1(C(Cl)Cl)SCCCS1
InChIInChI=1S/C6H10Cl2S2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3
InChIKeyDMRGIAWAXUPICA-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-2-methyl-1,3-dithiane?
The IUPAC name of 2-(dichloromethyl)-2-methyl-1,3-dithiane (CID 22238776) is 2-(dichloromethyl)-2-methyl-1,3-dithiane.
What is the SMILES notation for 2-(dichloromethyl)-2-methyl-1,3-dithiane?
The canonical SMILES for 2-(dichloromethyl)-2-methyl-1,3-dithiane is CC1(C(Cl)Cl)SCCCS1.
What is the InChIKey of 2-(dichloromethyl)-2-methyl-1,3-dithiane?
The InChIKey is DMRGIAWAXUPICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2S2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3.
What are the key properties of 2-(dichloromethyl)-2-methyl-1,3-dithiane?
2-(dichloromethyl)-2-methyl-1,3-dithiane has a molecular weight of 217.19 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-2-methyl-1,3-dithiane is sourced from PubChem (CID 22238776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).