CID 59101664

H2OS — CID 59101664

IUPAC—
SMILES[3H]OS
InChIInChI=1S/H2OS/c1-2/h1-2H/i/hT
InChIKeyRVEZZJVBDQCTEF-MNYXATJNSA-N
MW52.09 g/mol
LogP0.39
Rot. Bonds

About CID 59101664

CID 59101664 (PubChem CID 59101664) has the molecular formula H2OS and a molecular weight of 52.09 g/mol.

Molecular Properties

Compound NameCID 59101664
PubChem CID59101664
Molecular FormulaH2OS
Molecular Weight52.09 g/mol
Exact Mass51.99
IUPAC Name—
SMILES[3H]OS
InChIInChI=1S/H2OS/c1-2/h1-2H/i/hT
InChIKeyRVEZZJVBDQCTEF-MNYXATJNSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50052.09
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59101664?
The IUPAC name of CID 59101664 (CID 59101664) is not available.
What is the SMILES notation for CID 59101664?
The canonical SMILES for CID 59101664 is [3H]OS.
What is the InChIKey of CID 59101664?
The InChIKey is RVEZZJVBDQCTEF-MNYXATJNSA-N. The full InChI is InChI=1S/H2OS/c1-2/h1-2H/i/hT.
What are the key properties of CID 59101664?
CID 59101664 has a molecular weight of 52.09 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59101664 is sourced from PubChem (CID 59101664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).