1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole

C7H14N2S — CID 144512356

IUPAC1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole
SMILESCSCCCN1C=NCC1
InChIInChI=1S/C7H14N2S/c1-10-6-2-4-9-5-3-8-7-9/h7H,2-6H2,1H3
InChIKeyAULZVSOGKKNAET-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.08
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole

1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole (PubChem CID 144512356) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole
PubChem CID144512356
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole
SMILESCSCCCN1C=NCC1
InChIInChI=1S/C7H14N2S/c1-10-6-2-4-9-5-3-8-7-9/h7H,2-6H2,1H3
InChIKeyAULZVSOGKKNAET-UHFFFAOYSA-N
XLogP1.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-Dihydroimidazol-1-yl)ethanethiol
CID 88025395
3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 88190838
N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide
CID 123147892
N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
CID 123264875
3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol;ethane
CID 144237041
3-(4,5-Dihydroimidazol-1-yl)propylsulfanium
CID 144237071
1-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 173272070

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole (CID 144512356) is 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole is CSCCCN1C=NCC1.
What is the InChIKey of 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole?
The InChIKey is AULZVSOGKKNAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-10-6-2-4-9-5-3-8-7-9/h7H,2-6H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole?
1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole has a molecular weight of 158.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)-4,5-dihydroimidazole is sourced from PubChem (CID 144512356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).