1H-furo[2,3-d]pyrimidine-2-thione

C6H4N2OS — CID 156775680

IUPAC1H-furo[2,3-d]pyrimidine-2-thione
SMILESS=c1ncc2ccoc2[nH]1
InChIInChI=1S/C6H4N2OS/c10-6-7-3-4-1-2-9-5(4)8-6/h1-3H,(H,7,8,10)
InChIKeyUFOXQZMZXABOJN-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.89
Rot. Bonds

About 1H-furo[2,3-d]pyrimidine-2-thione

1H-furo[2,3-d]pyrimidine-2-thione (PubChem CID 156775680) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 1H-furo[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name1H-furo[2,3-d]pyrimidine-2-thione
PubChem CID156775680
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name1H-furo[2,3-d]pyrimidine-2-thione
SMILESS=c1ncc2ccoc2[nH]1
InChIInChI=1S/C6H4N2OS/c10-6-7-3-4-1-2-9-5(4)8-6/h1-3H,(H,7,8,10)
InChIKeyUFOXQZMZXABOJN-UHFFFAOYSA-N
XLogP1.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.89
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 1H-furo[2,3-d]pyrimidine-2-thione?
The IUPAC name of 1H-furo[2,3-d]pyrimidine-2-thione (CID 156775680) is 1H-furo[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 1H-furo[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 1H-furo[2,3-d]pyrimidine-2-thione is S=c1ncc2ccoc2[nH]1.
What is the InChIKey of 1H-furo[2,3-d]pyrimidine-2-thione?
The InChIKey is UFOXQZMZXABOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c10-6-7-3-4-1-2-9-5(4)8-6/h1-3H,(H,7,8,10).
What are the key properties of 1H-furo[2,3-d]pyrimidine-2-thione?
1H-furo[2,3-d]pyrimidine-2-thione has a molecular weight of 152.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-furo[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 156775680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).