1,2-dihydropyrimidine-2-thiol

C4H6N2S — CID 5242133

IUPAC1,2-dihydropyrimidine-2-thiol
SMILESSC1N=CC=CN1
InChIInChI=1S/C4H6N2S/c7-4-5-2-1-3-6-4/h1-5,7H
InChIKeySAITXBOGTNNNJW-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.39
Rot. Bonds

About 1,2-dihydropyrimidine-2-thiol

1,2-dihydropyrimidine-2-thiol (PubChem CID 5242133) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 1,2-dihydropyrimidine-2-thiol.

Molecular Properties

Compound Name1,2-dihydropyrimidine-2-thiol
PubChem CID5242133
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name1,2-dihydropyrimidine-2-thiol
SMILESSC1N=CC=CN1
InChIInChI=1S/C4H6N2S/c7-4-5-2-1-3-6-4/h1-5,7H
InChIKeySAITXBOGTNNNJW-UHFFFAOYSA-N
XLogP0.39
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine-2-thiol?
The IUPAC name of 1,2-dihydropyrimidine-2-thiol (CID 5242133) is 1,2-dihydropyrimidine-2-thiol.
What is the SMILES notation for 1,2-dihydropyrimidine-2-thiol?
The canonical SMILES for 1,2-dihydropyrimidine-2-thiol is SC1N=CC=CN1.
What is the InChIKey of 1,2-dihydropyrimidine-2-thiol?
The InChIKey is SAITXBOGTNNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c7-4-5-2-1-3-6-4/h1-5,7H.
What are the key properties of 1,2-dihydropyrimidine-2-thiol?
1,2-dihydropyrimidine-2-thiol has a molecular weight of 114.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidine-2-thiol is sourced from PubChem (CID 5242133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).