2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride

C7H17Cl2N3S — CID 13018878

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCSC1=NCCN1.Cl.Cl
InChIInChI=1S/C7H15N3S.2ClH/c1-10(2)5-6-11-7-8-3-4-9-7;;/h3-6H2,1-2H3,(H,8,9);2*1H
InChIKeyURUZINKWOOUTTH-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.08
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride (PubChem CID 13018878) has the molecular formula C7H17Cl2N3S and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride
PubChem CID13018878
Molecular FormulaC7H17Cl2N3S
Molecular Weight246.21 g/mol
Exact Mass245.05
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCSC1=NCCN1.Cl.Cl
InChIInChI=1S/C7H15N3S.2ClH/c1-10(2)5-6-11-7-8-3-4-9-7;;/h3-6H2,1-2H3,(H,8,9);2*1H
InChIKeyURUZINKWOOUTTH-UHFFFAOYSA-N
XLogP1.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride (CID 13018878) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride is CN(C)CCSC1=NCCN1.Cl.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride?
The InChIKey is URUZINKWOOUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S.2ClH/c1-10(2)5-6-11-7-8-3-4-9-7;;/h3-6H2,1-2H3,(H,8,9);2*1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride has a molecular weight of 246.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine;dihydrochloride is sourced from PubChem (CID 13018878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).