sulfane;2,4,6-trimethylpyridine

C8H13NS — CID 69294176

IUPACsulfane;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.S
InChIInChI=1S/C8H11N.H2S/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H2
InChIKeyCCQCYYHYLGQSPP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.12
Rot. Bonds

About sulfane;2,4,6-trimethylpyridine

sulfane;2,4,6-trimethylpyridine (PubChem CID 69294176) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is sulfane;2,4,6-trimethylpyridine.

Molecular Properties

Compound Namesulfane;2,4,6-trimethylpyridine
PubChem CID69294176
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Namesulfane;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.S
InChIInChI=1S/C8H11N.H2S/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H2
InChIKeyCCQCYYHYLGQSPP-UHFFFAOYSA-N
XLogP2.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sulfane;2,4,6-trimethylpyridine?
The IUPAC name of sulfane;2,4,6-trimethylpyridine (CID 69294176) is sulfane;2,4,6-trimethylpyridine.
What is the SMILES notation for sulfane;2,4,6-trimethylpyridine?
The canonical SMILES for sulfane;2,4,6-trimethylpyridine is Cc1cc(C)nc(C)c1.S.
What is the InChIKey of sulfane;2,4,6-trimethylpyridine?
The InChIKey is CCQCYYHYLGQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.H2S/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H2.
What are the key properties of sulfane;2,4,6-trimethylpyridine?
sulfane;2,4,6-trimethylpyridine has a molecular weight of 155.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2,4,6-trimethylpyridine is sourced from PubChem (CID 69294176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).