6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium

C6H11S+ — CID 57304547

IUPAC6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium
SMILESC[C+]1CCCCS1
InChIInChI=1S/C6H11S/c1-6-4-2-3-5-7-6/h2-5H2,1H3/q+1
InChIKeyBANMEHVZTWRSTK-UHFFFAOYSA-N
MW115.22 g/mol
LogP2.46
Rot. Bonds

About 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium

6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium (PubChem CID 57304547) has the molecular formula C6H11S+ and a molecular weight of 115.22 g/mol. Its IUPAC name is 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium.

Molecular Properties

Compound Name6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium
PubChem CID57304547
Molecular FormulaC6H11S+
Molecular Weight115.22 g/mol
Exact Mass115.06
IUPAC Name6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium
SMILESC[C+]1CCCCS1
InChIInChI=1S/C6H11S/c1-6-4-2-3-5-7-6/h2-5H2,1H3/q+1
InChIKeyBANMEHVZTWRSTK-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium?
The IUPAC name of 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium (CID 57304547) is 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium.
What is the SMILES notation for 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium?
The canonical SMILES for 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium is C[C+]1CCCCS1.
What is the InChIKey of 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium?
The InChIKey is BANMEHVZTWRSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11S/c1-6-4-2-3-5-7-6/h2-5H2,1H3/q+1.
What are the key properties of 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium?
6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium has a molecular weight of 115.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,5-tetrahydrothiopyran-6-ylium is sourced from PubChem (CID 57304547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).