2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

C6H4Cl2N2O2S — CID 89487453

IUPAC2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C6H4Cl2N2O2S/c7-5-3-1-13(11,12)2-4(3)9-6(8)10-5/h1-2H2
InChIKeyANVHDCBUVMKZJW-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.21
Rot. Bonds

About 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 89487453) has the molecular formula C6H4Cl2N2O2S and a molecular weight of 239.08 g/mol. Its IUPAC name is 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID89487453
Molecular FormulaC6H4Cl2N2O2S
Molecular Weight239.08 g/mol
Exact Mass237.94
IUPAC Name2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C6H4Cl2N2O2S/c7-5-3-1-13(11,12)2-4(3)9-6(8)10-5/h1-2H2
InChIKeyANVHDCBUVMKZJW-UHFFFAOYSA-N
XLogP1.21
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 89487453) is 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is O=S1(=O)Cc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is ANVHDCBUVMKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2S/c7-5-3-1-13(11,12)2-4(3)9-6(8)10-5/h1-2H2.
What are the key properties of 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 239.08 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 89487453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).