2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide

C7H6Cl2N2O2S — CID 56776999

IUPAC2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C7H6Cl2N2O2S/c8-6-4-3-14(12,13)2-1-5(4)10-7(9)11-6/h1-3H2
InChIKeyAGJGXYNUEZKNJB-UHFFFAOYSA-N
MW253.11 g/mol
LogP1.25
Rot. Bonds

About 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide

2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide (PubChem CID 56776999) has the molecular formula C7H6Cl2N2O2S and a molecular weight of 253.11 g/mol. Its IUPAC name is 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
PubChem CID56776999
Molecular FormulaC7H6Cl2N2O2S
Molecular Weight253.11 g/mol
Exact Mass251.95
IUPAC Name2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C7H6Cl2N2O2S/c8-6-4-3-14(12,13)2-1-5(4)10-7(9)11-6/h1-3H2
InChIKeyAGJGXYNUEZKNJB-UHFFFAOYSA-N
XLogP1.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide (CID 56776999) is 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide is O=S1(=O)CCc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide?
The InChIKey is AGJGXYNUEZKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2S/c8-6-4-3-14(12,13)2-1-5(4)10-7(9)11-6/h1-3H2.
What are the key properties of 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide?
2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide has a molecular weight of 253.11 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 56776999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).