CID 101342024

CH3OS — CID 101342024

IUPAC—
SMILES[2H]C([2H])([2H])S[O]
InChIInChI=1S/CH3OS/c1-3-2/h1H3/i1D3
InChIKeyBSASGANESDGUBT-FIBGUPNXSA-N
MW66.12 g/mol
LogP0.69
Rot. Bonds1

About CID 101342024

CID 101342024 (PubChem CID 101342024) has the molecular formula CH3OS and a molecular weight of 66.12 g/mol.

Molecular Properties

Compound NameCID 101342024
PubChem CID101342024
Molecular FormulaCH3OS
Molecular Weight66.12 g/mol
Exact Mass66.01
IUPAC Name—
SMILES[2H]C([2H])([2H])S[O]
InChIInChI=1S/CH3OS/c1-3-2/h1H3/i1D3
InChIKeyBSASGANESDGUBT-FIBGUPNXSA-N
XLogP0.69
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.12
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 101342024?
The IUPAC name of CID 101342024 (CID 101342024) is not available.
What is the SMILES notation for CID 101342024?
The canonical SMILES for CID 101342024 is [2H]C([2H])([2H])S[O].
What is the InChIKey of CID 101342024?
The InChIKey is BSASGANESDGUBT-FIBGUPNXSA-N. The full InChI is InChI=1S/CH3OS/c1-3-2/h1H3/i1D3.
What are the key properties of CID 101342024?
CID 101342024 has a molecular weight of 66.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101342024 is sourced from PubChem (CID 101342024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).