3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine

C4Cl3I2NOS — CID 160689562

IUPAC3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine
SMILESII.O=C(Cl)c1snc(Cl)c1Cl
InChIInChI=1S/C4Cl3NOS.I2/c5-1-2(4(7)9)10-8-3(1)6;1-2
InChIKeyRPFPLRLQNPJCSC-UHFFFAOYSA-N
MW470.28 g/mol
LogP4.60
Rot. Bonds1

About 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine

3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine (PubChem CID 160689562) has the molecular formula C4Cl3I2NOS and a molecular weight of 470.28 g/mol. Its IUPAC name is 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine.

Molecular Properties

Compound Name3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine
PubChem CID160689562
Molecular FormulaC4Cl3I2NOS
Molecular Weight470.28 g/mol
Exact Mass468.69
IUPAC Name3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine
SMILESII.O=C(Cl)c1snc(Cl)c1Cl
InChIInChI=1S/C4Cl3NOS.I2/c5-1-2(4(7)9)10-8-3(1)6;1-2
InChIKeyRPFPLRLQNPJCSC-UHFFFAOYSA-N
XLogP4.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine?
The IUPAC name of 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine (CID 160689562) is 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine.
What is the SMILES notation for 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine?
The canonical SMILES for 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine is II.O=C(Cl)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine?
The InChIKey is RPFPLRLQNPJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3NOS.I2/c5-1-2(4(7)9)10-8-3(1)6;1-2.
What are the key properties of 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine?
3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine has a molecular weight of 470.28 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,2-thiazole-5-carbonyl chloride;molecular iodine is sourced from PubChem (CID 160689562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).