2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride

C4H9ClN2S — CID 19882735

IUPAC2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCSC1=NCCN1.Cl
InChIInChI=1S/C4H8N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyNODDULJCYKABBP-UHFFFAOYSA-N
MW152.65 g/mol
LogP0.73
Rot. Bonds

About 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride

2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 19882735) has the molecular formula C4H9ClN2S and a molecular weight of 152.65 g/mol. Its IUPAC name is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID19882735
Molecular FormulaC4H9ClN2S
Molecular Weight152.65 g/mol
Exact Mass152.02
IUPAC Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCSC1=NCCN1.Cl
InChIInChI=1S/C4H8N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyNODDULJCYKABBP-UHFFFAOYSA-N
XLogP0.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.65
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 19882735) is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride is CSC1=NCCN1.Cl.
What is the InChIKey of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is NODDULJCYKABBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.ClH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H.
What are the key properties of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 152.65 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 19882735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).