3-ethoxypropylthiourea

C6H14N2OS — CID 7131186

IUPAC3-ethoxypropylthiourea
SMILESCCOCCCNC(N)=S
InChIInChI=1S/C6H14N2OS/c1-2-9-5-3-4-8-6(7)10/h2-5H2,1H3,(H3,7,8,10)
InChIKeyBPIJXOIMSUEVHX-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.25
Rot. Bonds5

About 3-ethoxypropylthiourea

3-ethoxypropylthiourea (PubChem CID 7131186) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 3-ethoxypropylthiourea.

Molecular Properties

Compound Name3-ethoxypropylthiourea
PubChem CID7131186
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name3-ethoxypropylthiourea
SMILESCCOCCCNC(N)=S
InChIInChI=1S/C6H14N2OS/c1-2-9-5-3-4-8-6(7)10/h2-5H2,1H3,(H3,7,8,10)
InChIKeyBPIJXOIMSUEVHX-UHFFFAOYSA-N
XLogP0.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropylthiourea?
The IUPAC name of 3-ethoxypropylthiourea (CID 7131186) is 3-ethoxypropylthiourea.
What is the SMILES notation for 3-ethoxypropylthiourea?
The canonical SMILES for 3-ethoxypropylthiourea is CCOCCCNC(N)=S.
What is the InChIKey of 3-ethoxypropylthiourea?
The InChIKey is BPIJXOIMSUEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-2-9-5-3-4-8-6(7)10/h2-5H2,1H3,(H3,7,8,10).
What are the key properties of 3-ethoxypropylthiourea?
3-ethoxypropylthiourea has a molecular weight of 162.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropylthiourea is sourced from PubChem (CID 7131186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).