1-ethyl-3-propylsulfonylthiourea

C6H14N2O2S2 — CID 5364103

IUPAC1-ethyl-3-propylsulfonylthiourea
SMILESCCCS(=O)(=O)NC(=S)NCC
InChIInChI=1S/C6H14N2O2S2/c1-3-5-12(9,10)8-6(11)7-4-2/h3-5H2,1-2H3,(H2,7,8,11)
InChIKeyAPCXJCTZBMQZPP-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.21
Rot. Bonds4

About 1-ethyl-3-propylsulfonylthiourea

1-ethyl-3-propylsulfonylthiourea (PubChem CID 5364103) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-ethyl-3-propylsulfonylthiourea.

Molecular Properties

Compound Name1-ethyl-3-propylsulfonylthiourea
PubChem CID5364103
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name1-ethyl-3-propylsulfonylthiourea
SMILESCCCS(=O)(=O)NC(=S)NCC
InChIInChI=1S/C6H14N2O2S2/c1-3-5-12(9,10)8-6(11)7-4-2/h3-5H2,1-2H3,(H2,7,8,11)
InChIKeyAPCXJCTZBMQZPP-UHFFFAOYSA-N
XLogP0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-propylsulfonylthiourea 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-ethyl-3-propylsulfonylthiourea?
The IUPAC name of 1-ethyl-3-propylsulfonylthiourea (CID 5364103) is 1-ethyl-3-propylsulfonylthiourea.
What is the SMILES notation for 1-ethyl-3-propylsulfonylthiourea?
The canonical SMILES for 1-ethyl-3-propylsulfonylthiourea is CCCS(=O)(=O)NC(=S)NCC.
What is the InChIKey of 1-ethyl-3-propylsulfonylthiourea?
The InChIKey is APCXJCTZBMQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-3-5-12(9,10)8-6(11)7-4-2/h3-5H2,1-2H3,(H2,7,8,11).
What are the key properties of 1-ethyl-3-propylsulfonylthiourea?
1-ethyl-3-propylsulfonylthiourea has a molecular weight of 210.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propylsulfonylthiourea is sourced from PubChem (CID 5364103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).