6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione

C8H8N2S2 — CID 745975

IUPAC6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione
SMILESCCc1cc2c(=S)[nH]cnc2s1
InChIInChI=1S/C8H8N2S2/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyCCIKQTPISUSOEB-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.92
Rot. Bonds1

About 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione

6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione (PubChem CID 745975) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione
PubChem CID745975
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione
SMILESCCc1cc2c(=S)[nH]cnc2s1
InChIInChI=1S/C8H8N2S2/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyCCIKQTPISUSOEB-UHFFFAOYSA-N
XLogP2.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.92
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 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione?
The IUPAC name of 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione (CID 745975) is 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione is CCc1cc2c(=S)[nH]cnc2s1.
What is the InChIKey of 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione?
The InChIKey is CCIKQTPISUSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione?
6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione has a molecular weight of 196.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-thieno[2,3-d]pyrimidine-4-thione is sourced from PubChem (CID 745975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).