4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride

C7H2Cl2N2OS — CID 59424546

IUPAC4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride
SMILESO=C(Cl)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H2Cl2N2OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H
InChIKeyVLKFTMFLJYWQNK-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.72
Rot. Bonds1

About 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride

4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride (PubChem CID 59424546) has the molecular formula C7H2Cl2N2OS and a molecular weight of 233.08 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride
PubChem CID59424546
Molecular FormulaC7H2Cl2N2OS
Molecular Weight233.08 g/mol
Exact Mass231.93
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride
SMILESO=C(Cl)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H2Cl2N2OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H
InChIKeyVLKFTMFLJYWQNK-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride (CID 59424546) is 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride is O=C(Cl)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride?
The InChIKey is VLKFTMFLJYWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H.
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride?
4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride has a molecular weight of 233.08 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride is sourced from PubChem (CID 59424546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).