4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine

C7H5ClN2O2S2 — CID 86095004

IUPAC4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine
SMILESCS(=O)(=O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H5ClN2O2S2/c1-14(11,12)5-2-4-6(13-5)7(8)10-3-9-4/h2-3H,1H3
InChIKeyMBLIHSQJQXCYHF-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.75
Rot. Bonds1

About 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine

4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine (PubChem CID 86095004) has the molecular formula C7H5ClN2O2S2 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine
PubChem CID86095004
Molecular FormulaC7H5ClN2O2S2
Molecular Weight248.72 g/mol
Exact Mass247.95
IUPAC Name4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine
SMILESCS(=O)(=O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H5ClN2O2S2/c1-14(11,12)5-2-4-6(13-5)7(8)10-3-9-4/h2-3H,1H3
InChIKeyMBLIHSQJQXCYHF-UHFFFAOYSA-N
XLogP1.75
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine (CID 86095004) is 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine is CS(=O)(=O)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine?
The InChIKey is MBLIHSQJQXCYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S2/c1-14(11,12)5-2-4-6(13-5)7(8)10-3-9-4/h2-3H,1H3.
What are the key properties of 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine?
4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine has a molecular weight of 248.72 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylsulfonylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 86095004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).