6-[tris(methylsulfanyl)methyl]pyridin-3-ol

C9H13NOS3 — CID 134123510

IUPAC6-[tris(methylsulfanyl)methyl]pyridin-3-ol
SMILESCSC(SC)(SC)c1ccc(O)cn1
InChIInChI=1S/C9H13NOS3/c1-12-9(13-2,14-3)8-5-4-7(11)6-10-8/h4-6,11H,1-3H3
InChIKeyNZSHHNNZRHENLX-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.99
Rot. Bonds4

About 6-[tris(methylsulfanyl)methyl]pyridin-3-ol

6-[tris(methylsulfanyl)methyl]pyridin-3-ol (PubChem CID 134123510) has the molecular formula C9H13NOS3 and a molecular weight of 247.41 g/mol. Its IUPAC name is 6-[tris(methylsulfanyl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[tris(methylsulfanyl)methyl]pyridin-3-ol
PubChem CID134123510
Molecular FormulaC9H13NOS3
Molecular Weight247.41 g/mol
Exact Mass247.02
IUPAC Name6-[tris(methylsulfanyl)methyl]pyridin-3-ol
SMILESCSC(SC)(SC)c1ccc(O)cn1
InChIInChI=1S/C9H13NOS3/c1-12-9(13-2,14-3)8-5-4-7(11)6-10-8/h4-6,11H,1-3H3
InChIKeyNZSHHNNZRHENLX-UHFFFAOYSA-N
XLogP2.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
6-[2-(4-methoxyphenyl)propan-2-yl]pyridin-3-ol
CID 167437084
6-(2-chloro-1,1,2,2-tetrafluoroethyl)pyridin-3-ol
CID 167738900
6-(dimethylamino)pyridin-3-ol
CID 11715188
methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
CID 130949057
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
6-(5-hydroxy-2-pyridinyl)pyridin-3-ol
CID 135830900
2-methylsulfanylpyrimidin-5-ol
CID 588357
disodium bisphenol-A
CID 66941220
6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
CID 79794102
6-isocyanopyridin-3-ol
CID 46398147
6-(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 18758423

Frequently Asked Questions

What is the IUPAC name of 6-[tris(methylsulfanyl)methyl]pyridin-3-ol?
The IUPAC name of 6-[tris(methylsulfanyl)methyl]pyridin-3-ol (CID 134123510) is 6-[tris(methylsulfanyl)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[tris(methylsulfanyl)methyl]pyridin-3-ol?
The canonical SMILES for 6-[tris(methylsulfanyl)methyl]pyridin-3-ol is CSC(SC)(SC)c1ccc(O)cn1.
What is the InChIKey of 6-[tris(methylsulfanyl)methyl]pyridin-3-ol?
The InChIKey is NZSHHNNZRHENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS3/c1-12-9(13-2,14-3)8-5-4-7(11)6-10-8/h4-6,11H,1-3H3.
What are the key properties of 6-[tris(methylsulfanyl)methyl]pyridin-3-ol?
6-[tris(methylsulfanyl)methyl]pyridin-3-ol has a molecular weight of 247.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tris(methylsulfanyl)methyl]pyridin-3-ol is sourced from PubChem (CID 134123510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).