1-methyl-1-prop-1-en-2-ylthiourea

C5H10N2S — CID 163692831

IUPAC1-methyl-1-prop-1-en-2-ylthiourea
SMILESC=C(C)N(C)C(N)=S
InChIInChI=1S/C5H10N2S/c1-4(2)7(3)5(6)8/h1H2,2-3H3,(H2,6,8)
InChIKeyJUKKGLGZJXHEQF-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.70
Rot. Bonds1

About 1-methyl-1-prop-1-en-2-ylthiourea

1-methyl-1-prop-1-en-2-ylthiourea (PubChem CID 163692831) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-methyl-1-prop-1-en-2-ylthiourea.

Molecular Properties

Compound Name1-methyl-1-prop-1-en-2-ylthiourea
PubChem CID163692831
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-methyl-1-prop-1-en-2-ylthiourea
SMILESC=C(C)N(C)C(N)=S
InChIInChI=1S/C5H10N2S/c1-4(2)7(3)5(6)8/h1H2,2-3H3,(H2,6,8)
InChIKeyJUKKGLGZJXHEQF-UHFFFAOYSA-N
XLogP0.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-1-prop-1-en-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

1,2-dimethyl-1-prop-1-en-2-ylguanidine
CID 145170884
bis(carbamodithioic acid);2-methylprop-1-ene
CID 88714741
N,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 130225205
N,4-dimethyl-N-prop-1-en-2-ylpenta-1,4-dien-2-amine
CID 146639074
N'-[methyl(prop-1-en-2-yl)amino]ethanimidamide
CID 123556942
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
ethanethioamide;λ2-plumbane
CID 174888754
prop-1-en-2-amine;yttrium
CID 158882655
1,1-bis(prop-1-en-2-yl)hydrazine
CID 129023174
N,N-dimethylethanethioamide;hydrazine
CID 159847458
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
1-(diethylamino)-1-methylthiourea
CID 121344971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-1-en-2-ylthiourea?
The IUPAC name of 1-methyl-1-prop-1-en-2-ylthiourea (CID 163692831) is 1-methyl-1-prop-1-en-2-ylthiourea.
What is the SMILES notation for 1-methyl-1-prop-1-en-2-ylthiourea?
The canonical SMILES for 1-methyl-1-prop-1-en-2-ylthiourea is C=C(C)N(C)C(N)=S.
What is the InChIKey of 1-methyl-1-prop-1-en-2-ylthiourea?
The InChIKey is JUKKGLGZJXHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(2)7(3)5(6)8/h1H2,2-3H3,(H2,6,8).
What are the key properties of 1-methyl-1-prop-1-en-2-ylthiourea?
1-methyl-1-prop-1-en-2-ylthiourea has a molecular weight of 130.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-1-en-2-ylthiourea is sourced from PubChem (CID 163692831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).