2,5-bis(chloromethyl)-1,4-dithiane

C6H10Cl2S2 — CID 11106806

IUPAC2,5-bis(chloromethyl)-1,4-dithiane
SMILESClCC1CSC(CCl)CS1
InChIInChI=1S/C6H10Cl2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2
InChIKeyGWFVMCSPIHOMRU-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.68
Rot. Bonds2

About 2,5-bis(chloromethyl)-1,4-dithiane

2,5-bis(chloromethyl)-1,4-dithiane (PubChem CID 11106806) has the molecular formula C6H10Cl2S2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,5-bis(chloromethyl)-1,4-dithiane.

Molecular Properties

Compound Name2,5-bis(chloromethyl)-1,4-dithiane
PubChem CID11106806
Molecular FormulaC6H10Cl2S2
Molecular Weight217.19 g/mol
Exact Mass215.96
IUPAC Name2,5-bis(chloromethyl)-1,4-dithiane
SMILESClCC1CSC(CCl)CS1
InChIInChI=1S/C6H10Cl2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2
InChIKeyGWFVMCSPIHOMRU-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.68
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 2,5-bis(chloromethyl)-1,4-dithiane?
The IUPAC name of 2,5-bis(chloromethyl)-1,4-dithiane (CID 11106806) is 2,5-bis(chloromethyl)-1,4-dithiane.
What is the SMILES notation for 2,5-bis(chloromethyl)-1,4-dithiane?
The canonical SMILES for 2,5-bis(chloromethyl)-1,4-dithiane is ClCC1CSC(CCl)CS1.
What is the InChIKey of 2,5-bis(chloromethyl)-1,4-dithiane?
The InChIKey is GWFVMCSPIHOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2.
What are the key properties of 2,5-bis(chloromethyl)-1,4-dithiane?
2,5-bis(chloromethyl)-1,4-dithiane has a molecular weight of 217.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(chloromethyl)-1,4-dithiane is sourced from PubChem (CID 11106806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).