2-methylprop-2-enylthiourea

C5H10N2S — CID 4538125

IUPAC2-methylprop-2-enylthiourea
SMILESC=C(C)CNC(N)=S
InChIInChI=1S/C5H10N2S/c1-4(2)3-7-5(6)8/h1,3H2,2H3,(H3,6,7,8)
InChIKeyZWANTMRZNYWRIK-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.40
Rot. Bonds2

About 2-methylprop-2-enylthiourea

2-methylprop-2-enylthiourea (PubChem CID 4538125) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-methylprop-2-enylthiourea.

Molecular Properties

Compound Name2-methylprop-2-enylthiourea
PubChem CID4538125
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-methylprop-2-enylthiourea
SMILESC=C(C)CNC(N)=S
InChIInChI=1S/C5H10N2S/c1-4(2)3-7-5(6)8/h1,3H2,2H3,(H3,6,7,8)
InChIKeyZWANTMRZNYWRIK-UHFFFAOYSA-N
XLogP0.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.40
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 2-methylprop-2-enylthiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylthiourea?
The IUPAC name of 2-methylprop-2-enylthiourea (CID 4538125) is 2-methylprop-2-enylthiourea.
What is the SMILES notation for 2-methylprop-2-enylthiourea?
The canonical SMILES for 2-methylprop-2-enylthiourea is C=C(C)CNC(N)=S.
What is the InChIKey of 2-methylprop-2-enylthiourea?
The InChIKey is ZWANTMRZNYWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(2)3-7-5(6)8/h1,3H2,2H3,(H3,6,7,8).
What are the key properties of 2-methylprop-2-enylthiourea?
2-methylprop-2-enylthiourea has a molecular weight of 130.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylthiourea is sourced from PubChem (CID 4538125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).