1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea

C11H24N2S — CID 115619093

IUPAC1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea
SMILESCCC(CC)C(C)NC(=S)NC(C)C
InChIInChI=1S/C11H24N2S/c1-6-10(7-2)9(5)13-11(14)12-8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeyLVRSZZGXDWLVFY-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea

1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea (PubChem CID 115619093) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea
PubChem CID115619093
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea
SMILESCCC(CC)C(C)NC(=S)NC(C)C
InChIInChI=1S/C11H24N2S/c1-6-10(7-2)9(5)13-11(14)12-8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeyLVRSZZGXDWLVFY-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea (CID 115619093) is 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea is CCC(CC)C(C)NC(=S)NC(C)C.
What is the InChIKey of 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea?
The InChIKey is LVRSZZGXDWLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-6-10(7-2)9(5)13-11(14)12-8(3)4/h8-10H,6-7H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea?
1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea has a molecular weight of 216.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 115619093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).