(2R,5S)-2,5-dichloro-1,4-dithiane

C4H6Cl2S2 — CID 130646782

IUPAC(2R,5S)-2,5-dichloro-1,4-dithiane
SMILESCl[C@@H]1CS[C@@H](Cl)CS1
InChIInChI=1S/C4H6Cl2S2/c5-3-1-7-4(6)2-8-3/h3-4H,1-2H2/t3-,4+
InChIKeyRFNRSHQCPMBHLC-ZXZARUISSA-N
MW189.13 g/mol
LogP2.60
Rot. Bonds

About (2R,5S)-2,5-dichloro-1,4-dithiane

(2R,5S)-2,5-dichloro-1,4-dithiane (PubChem CID 130646782) has the molecular formula C4H6Cl2S2 and a molecular weight of 189.13 g/mol. Its IUPAC name is (2R,5S)-2,5-dichloro-1,4-dithiane.

Molecular Properties

Compound Name(2R,5S)-2,5-dichloro-1,4-dithiane
PubChem CID130646782
Molecular FormulaC4H6Cl2S2
Molecular Weight189.13 g/mol
Exact Mass187.93
IUPAC Name(2R,5S)-2,5-dichloro-1,4-dithiane
SMILESCl[C@@H]1CS[C@@H](Cl)CS1
InChIInChI=1S/C4H6Cl2S2/c5-3-1-7-4(6)2-8-3/h3-4H,1-2H2/t3-,4+
InChIKeyRFNRSHQCPMBHLC-ZXZARUISSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 52.60
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,5S)-2,5-dichloro-1,4-dithiane?
The IUPAC name of (2R,5S)-2,5-dichloro-1,4-dithiane (CID 130646782) is (2R,5S)-2,5-dichloro-1,4-dithiane.
What is the SMILES notation for (2R,5S)-2,5-dichloro-1,4-dithiane?
The canonical SMILES for (2R,5S)-2,5-dichloro-1,4-dithiane is Cl[C@@H]1CS[C@@H](Cl)CS1.
What is the InChIKey of (2R,5S)-2,5-dichloro-1,4-dithiane?
The InChIKey is RFNRSHQCPMBHLC-ZXZARUISSA-N. The full InChI is InChI=1S/C4H6Cl2S2/c5-3-1-7-4(6)2-8-3/h3-4H,1-2H2/t3-,4+.
What are the key properties of (2R,5S)-2,5-dichloro-1,4-dithiane?
(2R,5S)-2,5-dichloro-1,4-dithiane has a molecular weight of 189.13 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dichloro-1,4-dithiane is sourced from PubChem (CID 130646782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).