CID 147868390

C4H9NO3RhS — CID 147868390

IUPAC—
SMILESCC(C)C(=O)N[S-](=O)=[OH+].[Rh]
InChIInChI=1S/C4H9NO3S.Rh/c1-3(2)4(6)5-9(7)8;/h3,7H,1-2H3,(H,5,6,8);
InChIKeyQZZHVSPWBLNUEA-UHFFFAOYSA-N
MW254.09 g/mol
LogP-0.08
Rot. Bonds2

About CID 147868390

CID 147868390 (PubChem CID 147868390) has the molecular formula C4H9NO3RhS and a molecular weight of 254.09 g/mol.

Molecular Properties

Compound NameCID 147868390
PubChem CID147868390
Molecular FormulaC4H9NO3RhS
Molecular Weight254.09 g/mol
Exact Mass253.94
IUPAC Name—
SMILESCC(C)C(=O)N[S-](=O)=[OH+].[Rh]
InChIInChI=1S/C4H9NO3S.Rh/c1-3(2)4(6)5-9(7)8;/h3,7H,1-2H3,(H,5,6,8);
InChIKeyQZZHVSPWBLNUEA-UHFFFAOYSA-N
XLogP-0.08
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 147868390?
The IUPAC name of CID 147868390 (CID 147868390) is not available.
What is the SMILES notation for CID 147868390?
The canonical SMILES for CID 147868390 is CC(C)C(=O)N[S-](=O)=[OH+].[Rh].
What is the InChIKey of CID 147868390?
The InChIKey is QZZHVSPWBLNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S.Rh/c1-3(2)4(6)5-9(7)8;/h3,7H,1-2H3,(H,5,6,8);.
What are the key properties of CID 147868390?
CID 147868390 has a molecular weight of 254.09 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147868390 is sourced from PubChem (CID 147868390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).