1,3-dipentylthiourea

C11H24N2S — CID 10751225

IUPAC1,3-dipentylthiourea
SMILESCCCCCNC(=S)NCCCCC
InChIInChI=1S/C11H24N2S/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
InChIKeyIFFMDHHTDSTHBZ-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.83
Rot. Bonds8

About 1,3-dipentylthiourea

1,3-dipentylthiourea (PubChem CID 10751225) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1,3-dipentylthiourea.

Molecular Properties

Compound Name1,3-dipentylthiourea
PubChem CID10751225
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1,3-dipentylthiourea
SMILESCCCCCNC(=S)NCCCCC
InChIInChI=1S/C11H24N2S/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
InChIKeyIFFMDHHTDSTHBZ-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,3-dipentylthiourea?
The IUPAC name of 1,3-dipentylthiourea (CID 10751225) is 1,3-dipentylthiourea.
What is the SMILES notation for 1,3-dipentylthiourea?
The canonical SMILES for 1,3-dipentylthiourea is CCCCCNC(=S)NCCCCC.
What is the InChIKey of 1,3-dipentylthiourea?
The InChIKey is IFFMDHHTDSTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14).
What are the key properties of 1,3-dipentylthiourea?
1,3-dipentylthiourea has a molecular weight of 216.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylthiourea is sourced from PubChem (CID 10751225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).