(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide

C7H5Cl2NOS — CID 100991853

IUPAC(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide
SMILESO=S1c2ncccc2[C@@H](Cl)[C@@H]1Cl
InChIInChI=1S/C7H5Cl2NOS/c8-5-4-2-1-3-10-7(4)12(11)6(5)9/h1-3,5-6H/t5-,6-,12?/m1/s1
InChIKeyBEQMVUQBKVUHMC-IVHNWRISSA-N
MW222.10 g/mol
LogP2.05
Rot. Bonds

About (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide

(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide (PubChem CID 100991853) has the molecular formula C7H5Cl2NOS and a molecular weight of 222.10 g/mol. Its IUPAC name is (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide.

Molecular Properties

Compound Name(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide
PubChem CID100991853
Molecular FormulaC7H5Cl2NOS
Molecular Weight222.10 g/mol
Exact Mass220.95
IUPAC Name(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide
SMILESO=S1c2ncccc2[C@@H](Cl)[C@@H]1Cl
InChIInChI=1S/C7H5Cl2NOS/c8-5-4-2-1-3-10-7(4)12(11)6(5)9/h1-3,5-6H/t5-,6-,12?/m1/s1
InChIKeyBEQMVUQBKVUHMC-IVHNWRISSA-N
XLogP2.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.05
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 (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide?
The IUPAC name of (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide (CID 100991853) is (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide.
What is the SMILES notation for (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide?
The canonical SMILES for (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide is O=S1c2ncccc2[C@@H](Cl)[C@@H]1Cl.
What is the InChIKey of (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide?
The InChIKey is BEQMVUQBKVUHMC-IVHNWRISSA-N. The full InChI is InChI=1S/C7H5Cl2NOS/c8-5-4-2-1-3-10-7(4)12(11)6(5)9/h1-3,5-6H/t5-,6-,12?/m1/s1.
What are the key properties of (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide?
(2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide has a molecular weight of 222.10 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dichloro-2,3-dihydrothieno[2,3-b]pyridine 1-oxide is sourced from PubChem (CID 100991853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).