3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride

C10H5Cl2NOS2 — CID 88751475

IUPAC3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1cc(S)cc(Cl)c1
InChIInChI=1S/C10H5Cl2NOS2/c11-6-1-5(2-7(15)3-6)9-8(10(12)14)4-16-13-9/h1-4,15H
InChIKeyXRRUSSDFRDTYGY-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.13
Rot. Bonds2

About 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride

3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride (PubChem CID 88751475) has the molecular formula C10H5Cl2NOS2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride
PubChem CID88751475
Molecular FormulaC10H5Cl2NOS2
Molecular Weight290.20 g/mol
Exact Mass288.92
IUPAC Name3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride
SMILESO=C(Cl)c1csnc1-c1cc(S)cc(Cl)c1
InChIInChI=1S/C10H5Cl2NOS2/c11-6-1-5(2-7(15)3-6)9-8(10(12)14)4-16-13-9/h1-4,15H
InChIKeyXRRUSSDFRDTYGY-UHFFFAOYSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride?
The IUPAC name of 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride (CID 88751475) is 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride.
What is the SMILES notation for 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride?
The canonical SMILES for 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride is O=C(Cl)c1csnc1-c1cc(S)cc(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride?
The InChIKey is XRRUSSDFRDTYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NOS2/c11-6-1-5(2-7(15)3-6)9-8(10(12)14)4-16-13-9/h1-4,15H.
What are the key properties of 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride?
3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride has a molecular weight of 290.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-sulfanylphenyl)-1,2-thiazole-4-carbonyl chloride is sourced from PubChem (CID 88751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).