5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride

C7H5ClN2O3S2 — CID 86665666

IUPAC5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2nc[nH]c(=O)c12
InChIInChI=1S/C7H5ClN2O3S2/c1-3-4-5(11)9-2-10-6(4)14-7(3)15(8,12)13/h2H,1H3,(H,9,10,11)
InChIKeyOMYHXYVIUUZRBL-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.22
Rot. Bonds1

About 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride

5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride (PubChem CID 86665666) has the molecular formula C7H5ClN2O3S2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride
PubChem CID86665666
Molecular FormulaC7H5ClN2O3S2
Molecular Weight264.71 g/mol
Exact Mass263.94
IUPAC Name5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2nc[nH]c(=O)c12
InChIInChI=1S/C7H5ClN2O3S2/c1-3-4-5(11)9-2-10-6(4)14-7(3)15(8,12)13/h2H,1H3,(H,9,10,11)
InChIKeyOMYHXYVIUUZRBL-UHFFFAOYSA-N
XLogP1.22
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride (CID 86665666) is 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride?
The InChIKey is OMYHXYVIUUZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S2/c1-3-4-5(11)9-2-10-6(4)14-7(3)15(8,12)13/h2H,1H3,(H,9,10,11).
What are the key properties of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride?
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride has a molecular weight of 264.71 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 86665666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).