methanethioic S-acid;pyridine

C6H7NOS — CID 163488022

IUPACmethanethioic S-acid;pyridine
SMILESO=CS.c1ccncc1
InChIInChI=1S/C5H5N.CH2OS/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyCKFLXALFVONJQE-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.19
Rot. Bonds

About methanethioic S-acid;pyridine

methanethioic S-acid;pyridine (PubChem CID 163488022) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is methanethioic S-acid;pyridine.

Molecular Properties

Compound Namemethanethioic S-acid;pyridine
PubChem CID163488022
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Namemethanethioic S-acid;pyridine
SMILESO=CS.c1ccncc1
InChIInChI=1S/C5H5N.CH2OS/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyCKFLXALFVONJQE-UHFFFAOYSA-N
XLogP1.19
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanethioic S-acid;pyridine?
The IUPAC name of methanethioic S-acid;pyridine (CID 163488022) is methanethioic S-acid;pyridine.
What is the SMILES notation for methanethioic S-acid;pyridine?
The canonical SMILES for methanethioic S-acid;pyridine is O=CS.c1ccncc1.
What is the InChIKey of methanethioic S-acid;pyridine?
The InChIKey is CKFLXALFVONJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.CH2OS/c1-2-4-6-5-3-1;2-1-3/h1-5H;1H,(H,2,3).
What are the key properties of methanethioic S-acid;pyridine?
methanethioic S-acid;pyridine has a molecular weight of 141.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioic S-acid;pyridine is sourced from PubChem (CID 163488022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).