4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

C7H8N4S2 — CID 135436393

IUPAC4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESCCSc1nc(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C7H8N4S2/c1-2-13-6-4-3-8-11-5(4)9-7(12)10-6/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyKNJPYDHMFGGCNS-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.13
Rot. Bonds2

About 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (PubChem CID 135436393) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.

Molecular Properties

Compound Name4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
PubChem CID135436393
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESCCSc1nc(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C7H8N4S2/c1-2-13-6-4-3-8-11-5(4)9-7(12)10-6/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyKNJPYDHMFGGCNS-UHFFFAOYSA-N
XLogP2.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The IUPAC name of 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (CID 135436393) is 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.
What is the SMILES notation for 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The canonical SMILES for 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is CCSc1nc(=S)[nH]c2[nH]ncc12.
What is the InChIKey of 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The InChIKey is KNJPYDHMFGGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-2-13-6-4-3-8-11-5(4)9-7(12)10-6/h3H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione has a molecular weight of 212.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is sourced from PubChem (CID 135436393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).