CID 102374318

CH3O2S — CID 102374318

IUPAC—
SMILESCSO[O]
InChIInChI=1S/CH3O2S/c1-4-3-2/h1H3
InChIKeyYDOBSMJUQGQZCN-UHFFFAOYSA-N
MW79.10 g/mol
LogP0.63
Rot. Bonds1

About CID 102374318

CID 102374318 (PubChem CID 102374318) has the molecular formula CH3O2S and a molecular weight of 79.10 g/mol.

Molecular Properties

Compound NameCID 102374318
PubChem CID102374318
Molecular FormulaCH3O2S
Molecular Weight79.10 g/mol
Exact Mass78.99
IUPAC Name—
SMILESCSO[O]
InChIInChI=1S/CH3O2S/c1-4-3-2/h1H3
InChIKeyYDOBSMJUQGQZCN-UHFFFAOYSA-N
XLogP0.63
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102374318?
The IUPAC name of CID 102374318 (CID 102374318) is not available.
What is the SMILES notation for CID 102374318?
The canonical SMILES for CID 102374318 is CSO[O].
What is the InChIKey of CID 102374318?
The InChIKey is YDOBSMJUQGQZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O2S/c1-4-3-2/h1H3.
What are the key properties of CID 102374318?
CID 102374318 has a molecular weight of 79.10 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102374318 is sourced from PubChem (CID 102374318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).