2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate

C7H8N2O3S — CID 174831983

IUPAC2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate
SMILESO=COCCc1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C7H8N2O3S/c10-4-12-2-1-5-3-8-7(13)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,13)
InChIKeyOUVVGNXRJIXADG-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.15
Rot. Bonds4

About 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate

2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate (PubChem CID 174831983) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate
PubChem CID174831983
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate
SMILESO=COCCc1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C7H8N2O3S/c10-4-12-2-1-5-3-8-7(13)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,13)
InChIKeyOUVVGNXRJIXADG-UHFFFAOYSA-N
XLogP0.15
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetate
CID 3659581
Methyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 13721707
5-(2-Hydroxyethyl)-2-thiouracil
CID 3614677
ethyl formate;5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 144428404
2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl formate
CID 174353556
5-(2-methoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 97035449

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate?
The IUPAC name of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate (CID 174831983) is 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate.
What is the SMILES notation for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate?
The canonical SMILES for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate is O=COCCc1c[nH]c(=S)[nH]c1=O.
What is the InChIKey of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate?
The InChIKey is OUVVGNXRJIXADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c10-4-12-2-1-5-3-8-7(13)9-6(5)11/h3-4H,1-2H2,(H2,8,9,11,13).
What are the key properties of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate?
2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate has a molecular weight of 200.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate is sourced from PubChem (CID 174831983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).