[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol

C10H15NOS2 — CID 18404145

IUPAC[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol
SMILESCc1c(SCCCS)ccnc1CO
InChIInChI=1S/C10H15NOS2/c1-8-9(7-12)11-4-3-10(8)14-6-2-5-13/h3-4,12-13H,2,5-7H2,1H3
InChIKeyPFHRHBWLJONOMY-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.29
Rot. Bonds5

About [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol

[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol (PubChem CID 18404145) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol
PubChem CID18404145
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol
SMILESCc1c(SCCCS)ccnc1CO
InChIInChI=1S/C10H15NOS2/c1-8-9(7-12)11-4-3-10(8)14-6-2-5-13/h3-4,12-13H,2,5-7H2,1H3
InChIKeyPFHRHBWLJONOMY-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol (CID 18404145) is [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol is Cc1c(SCCCS)ccnc1CO.
What is the InChIKey of [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol?
The InChIKey is PFHRHBWLJONOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8-9(7-12)11-4-3-10(8)14-6-2-5-13/h3-4,12-13H,2,5-7H2,1H3.
What are the key properties of [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol?
[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol has a molecular weight of 229.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol is sourced from PubChem (CID 18404145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).