thieno[2,3-d]pyrimidine-6-carbonyl chloride

C7H3ClN2OS — CID 154465339

IUPACthieno[2,3-d]pyrimidine-6-carbonyl chloride
SMILESO=C(Cl)c1cc2cncnc2s1
InChIInChI=1S/C7H3ClN2OS/c8-6(11)5-1-4-2-9-3-10-7(4)12-5/h1-3H
InChIKeyUSLTTWVKQQWPNQ-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.07
Rot. Bonds1

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

thieno[2,3-d]pyrimidine-6-carbonyl chloride (PubChem CID 154465339) has the molecular formula C7H3ClN2OS and a molecular weight of 198.63 g/mol. Its IUPAC name is thieno[2,3-d]pyrimidine-6-carbonyl chloride.

Molecular Properties

Compound Namethieno[2,3-d]pyrimidine-6-carbonyl chloride
PubChem CID154465339
Molecular FormulaC7H3ClN2OS
Molecular Weight198.63 g/mol
Exact Mass197.97
IUPAC Namethieno[2,3-d]pyrimidine-6-carbonyl chloride
SMILESO=C(Cl)c1cc2cncnc2s1
InChIInChI=1S/C7H3ClN2OS/c8-6(11)5-1-4-2-9-3-10-7(4)12-5/h1-3H
InChIKeyUSLTTWVKQQWPNQ-UHFFFAOYSA-N
XLogP2.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.07
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 thieno[2,3-d]pyrimidine-6-carbonyl chloride?
The IUPAC name of thieno[2,3-d]pyrimidine-6-carbonyl chloride (CID 154465339) is thieno[2,3-d]pyrimidine-6-carbonyl chloride.
What is the SMILES notation for thieno[2,3-d]pyrimidine-6-carbonyl chloride?
The canonical SMILES for thieno[2,3-d]pyrimidine-6-carbonyl chloride is O=C(Cl)c1cc2cncnc2s1.
What is the InChIKey of thieno[2,3-d]pyrimidine-6-carbonyl chloride?
The InChIKey is USLTTWVKQQWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2OS/c8-6(11)5-1-4-2-9-3-10-7(4)12-5/h1-3H.
What are the key properties of thieno[2,3-d]pyrimidine-6-carbonyl chloride?
thieno[2,3-d]pyrimidine-6-carbonyl chloride has a molecular weight of 198.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyrimidine-6-carbonyl chloride is sourced from PubChem (CID 154465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).