3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride

C7H14ClN3S — CID 3053436

IUPAC3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride
SMILESCN(C)CCn1cc[nH]c1=S.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-9(2)5-6-10-4-3-8-7(10)11;/h3-4H,5-6H2,1-2H3,(H,8,11);1H
InChIKeyRPFFKMPJYLHLSB-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.53
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride

3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride (PubChem CID 3053436) has the molecular formula C7H14ClN3S and a molecular weight of 207.73 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride
PubChem CID3053436
Molecular FormulaC7H14ClN3S
Molecular Weight207.73 g/mol
Exact Mass207.06
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride
SMILESCN(C)CCn1cc[nH]c1=S.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-9(2)5-6-10-4-3-8-7(10)11;/h3-4H,5-6H2,1-2H3,(H,8,11);1H
InChIKeyRPFFKMPJYLHLSB-UHFFFAOYSA-N
XLogP1.53
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride (CID 3053436) is 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride is CN(C)CCn1cc[nH]c1=S.Cl.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride?
The InChIKey is RPFFKMPJYLHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S.ClH/c1-9(2)5-6-10-4-3-8-7(10)11;/h3-4H,5-6H2,1-2H3,(H,8,11);1H.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride?
3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride is sourced from PubChem (CID 3053436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).