[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol

C8H11NOS2 — CID 45096743

IUPAC[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(CS)c1S
InChIInChI=1S/C8H11NOS2/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKeyGEXTXOCASIIAPR-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.60
Rot. Bonds2

About [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol

[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol (PubChem CID 45096743) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol
PubChem CID45096743
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(CS)c1S
InChIInChI=1S/C8H11NOS2/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKeyGEXTXOCASIIAPR-UHFFFAOYSA-N
XLogP1.60
TPSA33.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol (CID 45096743) is [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol is Cc1ncc(CO)c(CS)c1S.
What is the InChIKey of [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol?
The InChIKey is GEXTXOCASIIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3.
What are the key properties of [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol?
[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol has a molecular weight of 201.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 45096743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).