3-cyclopropyl-1-ethoxy-1-methylthiourea

C7H14N2OS — CID 131222930

IUPAC3-cyclopropyl-1-ethoxy-1-methylthiourea
SMILESCCON(C)C(=S)NC1CC1
InChIInChI=1S/C7H14N2OS/c1-3-10-9(2)7(11)8-6-4-5-6/h6H,3-5H2,1-2H3,(H,8,11)
InChIKeyARXPTCUXFIQMNW-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.91
Rot. Bonds3

About 3-cyclopropyl-1-ethoxy-1-methylthiourea

3-cyclopropyl-1-ethoxy-1-methylthiourea (PubChem CID 131222930) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethoxy-1-methylthiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-ethoxy-1-methylthiourea
PubChem CID131222930
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name3-cyclopropyl-1-ethoxy-1-methylthiourea
SMILESCCON(C)C(=S)NC1CC1
InChIInChI=1S/C7H14N2OS/c1-3-10-9(2)7(11)8-6-4-5-6/h6H,3-5H2,1-2H3,(H,8,11)
InChIKeyARXPTCUXFIQMNW-UHFFFAOYSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethoxy-1-methylthiourea?
The IUPAC name of 3-cyclopropyl-1-ethoxy-1-methylthiourea (CID 131222930) is 3-cyclopropyl-1-ethoxy-1-methylthiourea.
What is the SMILES notation for 3-cyclopropyl-1-ethoxy-1-methylthiourea?
The canonical SMILES for 3-cyclopropyl-1-ethoxy-1-methylthiourea is CCON(C)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-ethoxy-1-methylthiourea?
The InChIKey is ARXPTCUXFIQMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-3-10-9(2)7(11)8-6-4-5-6/h6H,3-5H2,1-2H3,(H,8,11).
What are the key properties of 3-cyclopropyl-1-ethoxy-1-methylthiourea?
3-cyclopropyl-1-ethoxy-1-methylthiourea has a molecular weight of 174.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethoxy-1-methylthiourea is sourced from PubChem (CID 131222930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).