(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane

C6H10Cl2S2 — CID 14568550

IUPAC(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane
SMILESClC[C@@H]1SCCS[C@H]1CCl
InChIInChI=1S/C6H10Cl2S2/c7-3-5-6(4-8)10-2-1-9-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyZJICDYLMVSTRRL-WDSKDSINSA-N
MW217.19 g/mol
LogP2.68
Rot. Bonds2

About (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane

(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane (PubChem CID 14568550) has the molecular formula C6H10Cl2S2 and a molecular weight of 217.19 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane
PubChem CID14568550
Molecular FormulaC6H10Cl2S2
Molecular Weight217.19 g/mol
Exact Mass215.96
IUPAC Name(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane
SMILESClC[C@@H]1SCCS[C@H]1CCl
InChIInChI=1S/C6H10Cl2S2/c7-3-5-6(4-8)10-2-1-9-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyZJICDYLMVSTRRL-WDSKDSINSA-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 (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane?
The IUPAC name of (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane (CID 14568550) is (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane.
What is the SMILES notation for (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane?
The canonical SMILES for (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane is ClC[C@@H]1SCCS[C@H]1CCl.
What is the InChIKey of (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane?
The InChIKey is ZJICDYLMVSTRRL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10Cl2S2/c7-3-5-6(4-8)10-2-1-9-5/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane?
(2R,3R)-2,3-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 (2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane is sourced from PubChem (CID 14568550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).