2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride

C8H11ClN2S2 — CID 45042037

IUPAC2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1csc(CSC2=NCCN2)c1
InChIInChI=1S/C8H10N2S2.ClH/c1-2-7(11-5-1)6-12-8-9-3-4-10-8;/h1-2,5H,3-4,6H2,(H,9,10);1H
InChIKeyKMFICJPOZRMRMF-UHFFFAOYSA-N
MW234.78 g/mol
LogP2.36
Rot. Bonds2

About 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45042037) has the molecular formula C8H11ClN2S2 and a molecular weight of 234.78 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45042037
Molecular FormulaC8H11ClN2S2
Molecular Weight234.78 g/mol
Exact Mass234.01
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1csc(CSC2=NCCN2)c1
InChIInChI=1S/C8H10N2S2.ClH/c1-2-7(11-5-1)6-12-8-9-3-4-10-8;/h1-2,5H,3-4,6H2,(H,9,10);1H
InChIKeyKMFICJPOZRMRMF-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45042037) is 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1csc(CSC2=NCCN2)c1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is KMFICJPOZRMRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2.ClH/c1-2-7(11-5-1)6-12-8-9-3-4-10-8;/h1-2,5H,3-4,6H2,(H,9,10);1H.
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 234.78 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45042037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).