1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea

C12H24N2S — CID 58801026

IUPAC1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea
SMILESCC(C)=C(CNC(=S)NC(C)C)C(C)C
InChIInChI=1S/C12H24N2S/c1-8(2)11(9(3)4)7-13-12(15)14-10(5)6/h8,10H,7H2,1-6H3,(H2,13,14,15)
InChIKeyKOUUTMHVSGBPNA-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea

1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea (PubChem CID 58801026) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea
PubChem CID58801026
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea
SMILESCC(C)=C(CNC(=S)NC(C)C)C(C)C
InChIInChI=1S/C12H24N2S/c1-8(2)11(9(3)4)7-13-12(15)14-10(5)6/h8,10H,7H2,1-6H3,(H2,13,14,15)
InChIKeyKOUUTMHVSGBPNA-UHFFFAOYSA-N
XLogP2.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)thiourea
CID 58801028
5-Ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
CID 163986956
4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130748557
N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131155835

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea (CID 58801026) is 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea is CC(C)=C(CNC(=S)NC(C)C)C(C)C.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea?
The InChIKey is KOUUTMHVSGBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-8(2)11(9(3)4)7-13-12(15)14-10(5)6/h8,10H,7H2,1-6H3,(H2,13,14,15).
What are the key properties of 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea?
1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea has a molecular weight of 228.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 58801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).