acetic acid;thieno[3,2-d]pyrimidine

C8H8N2O2S — CID 66697178

IUPACacetic acid;thieno[3,2-d]pyrimidine
SMILESCC(=O)O.c1ncc2sccc2n1
InChIInChI=1S/C6H4N2S.C2H4O2/c1-2-9-6-3-7-4-8-5(1)6;1-2(3)4/h1-4H;1H3,(H,3,4)
InChIKeyWGWKHTGXLYWSAI-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.78
Rot. Bonds

About acetic acid;thieno[3,2-d]pyrimidine

acetic acid;thieno[3,2-d]pyrimidine (PubChem CID 66697178) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is acetic acid;thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Nameacetic acid;thieno[3,2-d]pyrimidine
PubChem CID66697178
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Nameacetic acid;thieno[3,2-d]pyrimidine
SMILESCC(=O)O.c1ncc2sccc2n1
InChIInChI=1S/C6H4N2S.C2H4O2/c1-2-9-6-3-7-4-8-5(1)6;1-2(3)4/h1-4H;1H3,(H,3,4)
InChIKeyWGWKHTGXLYWSAI-UHFFFAOYSA-N
XLogP1.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;thieno[3,2-d]pyrimidine?
The IUPAC name of acetic acid;thieno[3,2-d]pyrimidine (CID 66697178) is acetic acid;thieno[3,2-d]pyrimidine.
What is the SMILES notation for acetic acid;thieno[3,2-d]pyrimidine?
The canonical SMILES for acetic acid;thieno[3,2-d]pyrimidine is CC(=O)O.c1ncc2sccc2n1.
What is the InChIKey of acetic acid;thieno[3,2-d]pyrimidine?
The InChIKey is WGWKHTGXLYWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S.C2H4O2/c1-2-9-6-3-7-4-8-5(1)6;1-2(3)4/h1-4H;1H3,(H,3,4).
What are the key properties of acetic acid;thieno[3,2-d]pyrimidine?
acetic acid;thieno[3,2-d]pyrimidine has a molecular weight of 196.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 66697178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).