1-methyl-3-(2-methylpropyl)thiourea

C6H14N2S — CID 15568243

IUPAC1-methyl-3-(2-methylpropyl)thiourea
SMILESCNC(=S)NCC(C)C
InChIInChI=1S/C6H14N2S/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyVYXKZXCLFLKQPF-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.74
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)thiourea

1-methyl-3-(2-methylpropyl)thiourea (PubChem CID 15568243) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)thiourea
PubChem CID15568243
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name1-methyl-3-(2-methylpropyl)thiourea
SMILESCNC(=S)NCC(C)C
InChIInChI=1S/C6H14N2S/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyVYXKZXCLFLKQPF-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(2-methylpropyl)thiourea 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

N,N'-Diethylthiourea
CID 2735009
N,N'-Dibutylthiourea
CID 2723622
Butylthiourea
CID 1551919
Butylethylthiourea
CID 3032901
Propyl-2-thiourea
CID 1615208
1,3-Dipropyl-2-thiourea
CID 2801214
N,N'-Bis(2-methylpropyl)thiourea
CID 3035343
1-Methyl-3-propyl-2-thiourea
CID 3690223
Biuret, 1-ethyl-2,4-dithio-
CID 3032494
Pseudourea, 2-(3-aminopropyl)-3-methyl-2-thio-, dihydrobromide
CID 3034927
(2-Methylpropyl)thiourea
CID 853362
(3-(Dimethylamino)propyl)thiourea
CID 1810294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-methyl-3-(2-methylpropyl)thiourea (CID 15568243) is 1-methyl-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)thiourea is CNC(=S)NCC(C)C.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)thiourea?
The InChIKey is VYXKZXCLFLKQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-(2-methylpropyl)thiourea?
1-methyl-3-(2-methylpropyl)thiourea has a molecular weight of 146.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 15568243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).