1-hexyl-3-propylthiourea

C10H22N2S — CID 4315184

IUPAC1-hexyl-3-propylthiourea
SMILESCCCCCCNC(=S)NCCC
InChIInChI=1S/C10H22N2S/c1-3-5-6-7-9-12-10(13)11-8-4-2/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyGZPNKQODQBJEOG-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.44
Rot. Bonds7

About 1-hexyl-3-propylthiourea

1-hexyl-3-propylthiourea (PubChem CID 4315184) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-hexyl-3-propylthiourea.

Molecular Properties

Compound Name1-hexyl-3-propylthiourea
PubChem CID4315184
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-hexyl-3-propylthiourea
SMILESCCCCCCNC(=S)NCCC
InChIInChI=1S/C10H22N2S/c1-3-5-6-7-9-12-10(13)11-8-4-2/h3-9H2,1-2H3,(H2,11,12,13)
InChIKeyGZPNKQODQBJEOG-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.44
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-hexyl-3-propylthiourea?
The IUPAC name of 1-hexyl-3-propylthiourea (CID 4315184) is 1-hexyl-3-propylthiourea.
What is the SMILES notation for 1-hexyl-3-propylthiourea?
The canonical SMILES for 1-hexyl-3-propylthiourea is CCCCCCNC(=S)NCCC.
What is the InChIKey of 1-hexyl-3-propylthiourea?
The InChIKey is GZPNKQODQBJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-5-6-7-9-12-10(13)11-8-4-2/h3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-hexyl-3-propylthiourea?
1-hexyl-3-propylthiourea has a molecular weight of 202.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-propylthiourea is sourced from PubChem (CID 4315184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).