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

C6H4Cl2N2O2S — CID 112756466

IUPAC2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
SMILESO=S1(=O)CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C6H4Cl2N2O2S/c7-5-4-3(9-6(8)10-5)1-2-13(4,11)12/h1-2H2
InChIKeyALERZAHSJDWNKK-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.11
Rot. Bonds

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

2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide (PubChem CID 112756466) has the molecular formula C6H4Cl2N2O2S and a molecular weight of 239.08 g/mol. Its IUPAC name is 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide.

Molecular Properties

Compound Name2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
PubChem CID112756466
Molecular FormulaC6H4Cl2N2O2S
Molecular Weight239.08 g/mol
Exact Mass237.94
IUPAC Name2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
SMILESO=S1(=O)CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C6H4Cl2N2O2S/c7-5-4-3(9-6(8)10-5)1-2-13(4,11)12/h1-2H2
InChIKeyALERZAHSJDWNKK-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 45789967
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 89487319
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-D]pyrimidine
CID 89487335
2,4-dichloro-5H,7H-6lambda6-thieno(3,4-d)pyrimidine-6,6-dione
CID 89487453
4-Chloro-2-(1,1-difluoropropyl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 177793523
2,4-Dichloro-7,8-dihydro-6H-thiopyrano[3,2-D]pyrimidine
CID 13307214
4-Chloro-2-ethyl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 15055735
4-Chloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 53745646
2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
CID 56776999
4-Chloro-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 66545457
2,4-Dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-Dioxide
CID 85642716
(2-chloro-5,5-dioxo-6,7-dihydro-5H-5lambda6-thieno[3,2-d]pyrimidin-4-yl)propylamine
CID 86616274

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The IUPAC name of 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide (CID 112756466) is 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide.
What is the SMILES notation for 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The canonical SMILES for 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide is O=S1(=O)CCc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The InChIKey is ALERZAHSJDWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2S/c7-5-4-3(9-6(8)10-5)1-2-13(4,11)12/h1-2H2.
What are the key properties of 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide has a molecular weight of 239.08 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide is sourced from PubChem (CID 112756466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).