3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol

C6H10N2OS — CID 163552969

IUPAC3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
SMILESOC(S)CCc1cnc[nH]1
InChIInChI=1S/C6H10N2OS/c9-6(10)2-1-5-3-7-4-8-5/h3-4,6,9-10H,1-2H2,(H,7,8)
InChIKeyFKPRSSOOAMAKMQ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.59
Rot. Bonds3

About 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol

3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol (PubChem CID 163552969) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
PubChem CID163552969
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
SMILESOC(S)CCc1cnc[nH]1
InChIInChI=1S/C6H10N2OS/c9-6(10)2-1-5-3-7-4-8-5/h3-4,6,9-10H,1-2H2,(H,7,8)
InChIKeyFKPRSSOOAMAKMQ-UHFFFAOYSA-N
XLogP0.59
TPSA48.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
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ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
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(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
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5-(2-methylsulfanylethyl)-1H-imidazole
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4-(1H-imidazol-5-yl)butan-1-amine
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5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
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5-(3-thiophen-2-ylbutyl)-1H-imidazole
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CID 123261764

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol (CID 163552969) is 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol is OC(S)CCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol?
The InChIKey is FKPRSSOOAMAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c9-6(10)2-1-5-3-7-4-8-5/h3-4,6,9-10H,1-2H2,(H,7,8).
What are the key properties of 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol?
3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol is sourced from PubChem (CID 163552969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).