2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C8H10N2S2 — CID 106481686

IUPAC2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H10N2S2/c1-2-7-9-6-4-12-3-5(6)8(11)10-7/h2-4H2,1H3,(H,9,10,11)
InChIKeyNAAUHVPTIYJSKL-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.45
Rot. Bonds1

About 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481686) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481686
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C8H10N2S2/c1-2-7-9-6-4-12-3-5(6)8(11)10-7/h2-4H2,1H3,(H,9,10,11)
InChIKeyNAAUHVPTIYJSKL-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481686) is 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is NAAUHVPTIYJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-2-7-9-6-4-12-3-5(6)8(11)10-7/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 198.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).