2,3-dihydro-1H-pyrimidine-4-thione

C4H6N2S — CID 18173008

IUPAC2,3-dihydro-1H-pyrimidine-4-thione
SMILESS=C1C=CNCN1
InChIInChI=1S/C4H6N2S/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7)
InChIKeyUGYWQBWDHQWWNO-UHFFFAOYSA-N
MW114.17 g/mol
LogP-0.02
Rot. Bonds

About 2,3-dihydro-1H-pyrimidine-4-thione

2,3-dihydro-1H-pyrimidine-4-thione (PubChem CID 18173008) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrimidine-4-thione
PubChem CID18173008
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name2,3-dihydro-1H-pyrimidine-4-thione
SMILESS=C1C=CNCN1
InChIInChI=1S/C4H6N2S/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7)
InChIKeyUGYWQBWDHQWWNO-UHFFFAOYSA-N
XLogP-0.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,3-dihydro-1H-pyrimidine-4-thione?
The IUPAC name of 2,3-dihydro-1H-pyrimidine-4-thione (CID 18173008) is 2,3-dihydro-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,3-dihydro-1H-pyrimidine-4-thione?
The canonical SMILES for 2,3-dihydro-1H-pyrimidine-4-thione is S=C1C=CNCN1.
What is the InChIKey of 2,3-dihydro-1H-pyrimidine-4-thione?
The InChIKey is UGYWQBWDHQWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7).
What are the key properties of 2,3-dihydro-1H-pyrimidine-4-thione?
2,3-dihydro-1H-pyrimidine-4-thione has a molecular weight of 114.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrimidine-4-thione is sourced from PubChem (CID 18173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).