2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole

C5H10N2S — CID 45092629

IUPAC2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCSCC1=NCCN1
InChIInChI=1S/C5H10N2S/c1-8-4-5-6-2-3-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyQLVQVRCUWCEIGL-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.35
Rot. Bonds2

About 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole

2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 45092629) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID45092629
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCSCC1=NCCN1
InChIInChI=1S/C5H10N2S/c1-8-4-5-6-2-3-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyQLVQVRCUWCEIGL-UHFFFAOYSA-N
XLogP0.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole (CID 45092629) is 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole is CSCC1=NCCN1.
What is the InChIKey of 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is QLVQVRCUWCEIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-8-4-5-6-2-3-7-5/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 130.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45092629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).