5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol

C8H16N2S — CID 154936880

IUPAC5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol
SMILESCC(S)CCCN1C=NCC1
InChIInChI=1S/C8H16N2S/c1-8(11)3-2-5-10-6-4-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyGQZZPUYOQLNDHC-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.43
Rot. Bonds4

About 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol

5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol (PubChem CID 154936880) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol.

Molecular Properties

Compound Name5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol
PubChem CID154936880
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol
SMILESCC(S)CCCN1C=NCC1
InChIInChI=1S/C8H16N2S/c1-8(11)3-2-5-10-6-4-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyGQZZPUYOQLNDHC-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-pentyl-4,5-dihydroimidazol-1-ium
CID 15520748
1-Pentyl-4,5-dihydroimidazole
CID 22002778
3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 88190838
1-(1-Methyl-4,5-dihydroimidazol-1-ium-1-yl)hexane-3-thiol chloride
CID 140090263
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
1-(1-Methyl-4,5-dihydroimidazol-1-ium-1-yl)hexane-3-thiol
CID 140090264

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol?
The IUPAC name of 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol (CID 154936880) is 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol.
What is the SMILES notation for 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol?
The canonical SMILES for 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol is CC(S)CCCN1C=NCC1.
What is the InChIKey of 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol?
The InChIKey is GQZZPUYOQLNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-8(11)3-2-5-10-6-4-9-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol?
5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol has a molecular weight of 172.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydroimidazol-1-yl)pentane-2-thiol is sourced from PubChem (CID 154936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).