carbonyl dichloride;1,3-thiazole

C4H3Cl2NOS — CID 22467110

IUPACcarbonyl dichloride;1,3-thiazole
SMILESO=C(Cl)Cl.c1cscn1
InChIInChI=1S/C3H3NS.CCl2O/c1-2-5-3-4-1;2-1(3)4/h1-3H;
InChIKeyOFCZGFLCJWGUPN-UHFFFAOYSA-N
MW184.05 g/mol
LogP2.73
Rot. Bonds

About carbonyl dichloride;1,3-thiazole

carbonyl dichloride;1,3-thiazole (PubChem CID 22467110) has the molecular formula C4H3Cl2NOS and a molecular weight of 184.05 g/mol. Its IUPAC name is carbonyl dichloride;1,3-thiazole.

Molecular Properties

Compound Namecarbonyl dichloride;1,3-thiazole
PubChem CID22467110
Molecular FormulaC4H3Cl2NOS
Molecular Weight184.05 g/mol
Exact Mass182.93
IUPAC Namecarbonyl dichloride;1,3-thiazole
SMILESO=C(Cl)Cl.c1cscn1
InChIInChI=1S/C3H3NS.CCl2O/c1-2-5-3-4-1;2-1(3)4/h1-3H;
InChIKeyOFCZGFLCJWGUPN-UHFFFAOYSA-N
XLogP2.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 52.73
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 carbonyl dichloride;1,3-thiazole?
The IUPAC name of carbonyl dichloride;1,3-thiazole (CID 22467110) is carbonyl dichloride;1,3-thiazole.
What is the SMILES notation for carbonyl dichloride;1,3-thiazole?
The canonical SMILES for carbonyl dichloride;1,3-thiazole is O=C(Cl)Cl.c1cscn1.
What is the InChIKey of carbonyl dichloride;1,3-thiazole?
The InChIKey is OFCZGFLCJWGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.CCl2O/c1-2-5-3-4-1;2-1(3)4/h1-3H;.
What are the key properties of carbonyl dichloride;1,3-thiazole?
carbonyl dichloride;1,3-thiazole has a molecular weight of 184.05 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;1,3-thiazole is sourced from PubChem (CID 22467110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).