1-methyl-3-(2-methylprop-2-enyl)thiourea

C6H12N2S — CID 2724026

IUPAC1-methyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NC
InChIInChI=1S/C6H12N2S/c1-5(2)4-8-6(9)7-3/h1,4H2,2-3H3,(H2,7,8,9)
InChIKeyUUXUIXBWRPPCIS-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.66
Rot. Bonds2

About 1-methyl-3-(2-methylprop-2-enyl)thiourea

1-methyl-3-(2-methylprop-2-enyl)thiourea (PubChem CID 2724026) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-2-enyl)thiourea
PubChem CID2724026
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-methyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NC
InChIInChI=1S/C6H12N2S/c1-5(2)4-8-6(9)7-3/h1,4H2,2-3H3,(H2,7,8,9)
InChIKeyUUXUIXBWRPPCIS-UHFFFAOYSA-N
XLogP0.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)thiourea (CID 2724026) is 1-methyl-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NC.
What is the InChIKey of 1-methyl-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is UUXUIXBWRPPCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(2)4-8-6(9)7-3/h1,4H2,2-3H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-(2-methylprop-2-enyl)thiourea?
1-methyl-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 144.24 g/mol, XLogP of 0.66, 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-methylprop-2-enyl)thiourea is sourced from PubChem (CID 2724026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).