1-methylthiolan-1-ium chloride

C5H11ClS — CID 71374473

IUPAC1-methylthiolan-1-ium chloride
SMILESC[S+]1CCCC1.[Cl-]
InChIInChI=1S/C5H11S.ClH/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H/q+1;/p-1
InChIKeyIPYMYDPYYDUUDG-UHFFFAOYSA-M
MW138.66 g/mol
LogP-1.97
Rot. Bonds

About 1-methylthiolan-1-ium chloride

1-methylthiolan-1-ium chloride (PubChem CID 71374473) has the molecular formula C5H11ClS and a molecular weight of 138.66 g/mol. Its IUPAC name is 1-methylthiolan-1-ium chloride.

Molecular Properties

Compound Name1-methylthiolan-1-ium chloride
PubChem CID71374473
Molecular FormulaC5H11ClS
Molecular Weight138.66 g/mol
Exact Mass138.03
IUPAC Name1-methylthiolan-1-ium chloride
SMILESC[S+]1CCCC1.[Cl-]
InChIInChI=1S/C5H11S.ClH/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H/q+1;/p-1
InChIKeyIPYMYDPYYDUUDG-UHFFFAOYSA-M
XLogP-1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.66
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylthiolan-1-ium chloride?
The IUPAC name of 1-methylthiolan-1-ium chloride (CID 71374473) is 1-methylthiolan-1-ium chloride.
What is the SMILES notation for 1-methylthiolan-1-ium chloride?
The canonical SMILES for 1-methylthiolan-1-ium chloride is C[S+]1CCCC1.[Cl-].
What is the InChIKey of 1-methylthiolan-1-ium chloride?
The InChIKey is IPYMYDPYYDUUDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11S.ClH/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-methylthiolan-1-ium chloride?
1-methylthiolan-1-ium chloride has a molecular weight of 138.66 g/mol, XLogP of -1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylthiolan-1-ium chloride is sourced from PubChem (CID 71374473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).