CID 154136960

CH3O3S- — CID 154136960

IUPAC—
SMILESO=[S-](\O)=C/O
InChIInChI=1S/CH3O3S/c2-1-5(3)4/h1-2H,(H,3,4)/q-1
InChIKeyGNXFOPJIFGIZQL-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.26
Rot. Bonds

About CID 154136960

CID 154136960 (PubChem CID 154136960) has the molecular formula CH3O3S- and a molecular weight of 95.10 g/mol.

Molecular Properties

Compound NameCID 154136960
PubChem CID154136960
Molecular FormulaCH3O3S-
Molecular Weight95.10 g/mol
Exact Mass94.98
IUPAC Name—
SMILESO=[S-](\O)=C/O
InChIInChI=1S/CH3O3S/c2-1-5(3)4/h1-2H,(H,3,4)/q-1
InChIKeyGNXFOPJIFGIZQL-UHFFFAOYSA-N
XLogP-0.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze CID 154136960 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 154136960?
The IUPAC name of CID 154136960 (CID 154136960) is not available.
What is the SMILES notation for CID 154136960?
The canonical SMILES for CID 154136960 is O=[S-](\O)=C/O.
What is the InChIKey of CID 154136960?
The InChIKey is GNXFOPJIFGIZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O3S/c2-1-5(3)4/h1-2H,(H,3,4)/q-1.
What are the key properties of CID 154136960?
CID 154136960 has a molecular weight of 95.10 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154136960 is sourced from PubChem (CID 154136960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).