1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea

C5H8N2O3S2 — CID 43828214

IUPAC1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea
SMILESO=S1(=O)CC=C(NC(=S)NO)C1
InChIInChI=1S/C5H8N2O3S2/c8-7-5(11)6-4-1-2-12(9,10)3-4/h1,8H,2-3H2,(H2,6,7,11)
InChIKeyWFTPGPQZSMLQFA-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.85
Rot. Bonds1

About 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea

1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea (PubChem CID 43828214) has the molecular formula C5H8N2O3S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea.

Molecular Properties

Compound Name1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea
PubChem CID43828214
Molecular FormulaC5H8N2O3S2
Molecular Weight208.26 g/mol
Exact Mass208.00
IUPAC Name1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea
SMILESO=S1(=O)CC=C(NC(=S)NO)C1
InChIInChI=1S/C5H8N2O3S2/c8-7-5(11)6-4-1-2-12(9,10)3-4/h1,8H,2-3H2,(H2,6,7,11)
InChIKeyWFTPGPQZSMLQFA-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea 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 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea?
The IUPAC name of 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea (CID 43828214) is 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea.
What is the SMILES notation for 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea?
The canonical SMILES for 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea is O=S1(=O)CC=C(NC(=S)NO)C1.
What is the InChIKey of 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea?
The InChIKey is WFTPGPQZSMLQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S2/c8-7-5(11)6-4-1-2-12(9,10)3-4/h1,8H,2-3H2,(H2,6,7,11).
What are the key properties of 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea?
1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea has a molecular weight of 208.26 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-3-hydroxythiourea is sourced from PubChem (CID 43828214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).