1-amino-3-methylimidazolidine-2-thione

C4H9N3S — CID 20622949

IUPAC1-amino-3-methylimidazolidine-2-thione
SMILESCN1CCN(N)C1=S
InChIInChI=1S/C4H9N3S/c1-6-2-3-7(5)4(6)8/h2-3,5H2,1H3
InChIKeyHEPOMHXFQGKTOL-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.61
Rot. Bonds

About 1-amino-3-methylimidazolidine-2-thione

1-amino-3-methylimidazolidine-2-thione (PubChem CID 20622949) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-amino-3-methylimidazolidine-2-thione.

Molecular Properties

Compound Name1-amino-3-methylimidazolidine-2-thione
PubChem CID20622949
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name1-amino-3-methylimidazolidine-2-thione
SMILESCN1CCN(N)C1=S
InChIInChI=1S/C4H9N3S/c1-6-2-3-7(5)4(6)8/h2-3,5H2,1H3
InChIKeyHEPOMHXFQGKTOL-UHFFFAOYSA-N
XLogP-0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1,2,4,5-Tetramethyl-1,2,4-triazolidine-3-thione
CID 15001252
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1,4,5-Trimethyl-1,2,4-triazolidine-3-thione
CID 20615651
1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950418
1-Amino-1-ethyl-3,3-dimethylthiourea
CID 88072675
2,3-Dimethylimidazolidin-1-amine
CID 123893474
3-Methylimidazolidin-1-amine
CID 124191618
azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 173387119
Potassium;hydride;1,4,5-trimethyl-1,2,4-triazolidine-3-thione
CID 174468490

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylimidazolidine-2-thione?
The IUPAC name of 1-amino-3-methylimidazolidine-2-thione (CID 20622949) is 1-amino-3-methylimidazolidine-2-thione.
What is the SMILES notation for 1-amino-3-methylimidazolidine-2-thione?
The canonical SMILES for 1-amino-3-methylimidazolidine-2-thione is CN1CCN(N)C1=S.
What is the InChIKey of 1-amino-3-methylimidazolidine-2-thione?
The InChIKey is HEPOMHXFQGKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c1-6-2-3-7(5)4(6)8/h2-3,5H2,1H3.
What are the key properties of 1-amino-3-methylimidazolidine-2-thione?
1-amino-3-methylimidazolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylimidazolidine-2-thione is sourced from PubChem (CID 20622949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).