CID 57417658

CH3OS — CID 57417658

IUPAC—
SMILESCS[O]
InChIInChI=1S/CH3OS/c1-3-2/h1H3
InChIKeyBSASGANESDGUBT-UHFFFAOYSA-N
MW63.10 g/mol
LogP0.69
Rot. Bonds

About CID 57417658

CID 57417658 (PubChem CID 57417658) has the molecular formula CH3OS and a molecular weight of 63.10 g/mol.

Molecular Properties

Compound NameCID 57417658
PubChem CID57417658
Molecular FormulaCH3OS
Molecular Weight63.10 g/mol
Exact Mass62.99
IUPAC Name—
SMILESCS[O]
InChIInChI=1S/CH3OS/c1-3-2/h1H3
InChIKeyBSASGANESDGUBT-UHFFFAOYSA-N
XLogP0.69
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57417658?
The IUPAC name of CID 57417658 (CID 57417658) is not available.
What is the SMILES notation for CID 57417658?
The canonical SMILES for CID 57417658 is CS[O].
What is the InChIKey of CID 57417658?
The InChIKey is BSASGANESDGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3OS/c1-3-2/h1H3.
What are the key properties of CID 57417658?
CID 57417658 has a molecular weight of 63.10 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417658 is sourced from PubChem (CID 57417658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).