3,5-dichloro-1,2-thiazole-4-carbonyl chloride

C4Cl3NOS — CID 54106162

IUPAC3,5-dichloro-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)nsc1Cl
InChIInChI=1S/C4Cl3NOS/c5-2-1(3(6)9)4(7)10-8-2
InChIKeyNDXOJSVCXDTQOG-UHFFFAOYSA-N
MW216.48 g/mol
LogP2.83
Rot. Bonds1

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

3,5-dichloro-1,2-thiazole-4-carbonyl chloride (PubChem CID 54106162) has the molecular formula C4Cl3NOS and a molecular weight of 216.48 g/mol. Its IUPAC name is 3,5-dichloro-1,2-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-1,2-thiazole-4-carbonyl chloride
PubChem CID54106162
Molecular FormulaC4Cl3NOS
Molecular Weight216.48 g/mol
Exact Mass214.88
IUPAC Name3,5-dichloro-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)nsc1Cl
InChIInChI=1S/C4Cl3NOS/c5-2-1(3(6)9)4(7)10-8-2
InChIKeyNDXOJSVCXDTQOG-UHFFFAOYSA-N
XLogP2.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1,2-thiazole-4-carbonyl chloride?
The IUPAC name of 3,5-dichloro-1,2-thiazole-4-carbonyl chloride (CID 54106162) is 3,5-dichloro-1,2-thiazole-4-carbonyl chloride.
What is the SMILES notation for 3,5-dichloro-1,2-thiazole-4-carbonyl chloride?
The canonical SMILES for 3,5-dichloro-1,2-thiazole-4-carbonyl chloride is O=C(Cl)c1c(Cl)nsc1Cl.
What is the InChIKey of 3,5-dichloro-1,2-thiazole-4-carbonyl chloride?
The InChIKey is NDXOJSVCXDTQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3NOS/c5-2-1(3(6)9)4(7)10-8-2.
What are the key properties of 3,5-dichloro-1,2-thiazole-4-carbonyl chloride?
3,5-dichloro-1,2-thiazole-4-carbonyl chloride has a molecular weight of 216.48 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1,2-thiazole-4-carbonyl chloride is sourced from PubChem (CID 54106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).