CID 53427530

C10H15BiO4S — CID 53427530

IUPAC—
SMILESCC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2
InChIInChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyIXOCNACBGKRTOT-UHFFFAOYSA-M
MW440.27 g/mol
LogP0.81
Rot. Bonds3

About CID 53427530

CID 53427530 (PubChem CID 53427530) has the molecular formula C10H15BiO4S and a molecular weight of 440.27 g/mol.

Molecular Properties

Compound NameCID 53427530
PubChem CID53427530
Molecular FormulaC10H15BiO4S
Molecular Weight440.27 g/mol
Exact Mass440.05
IUPAC Name—
SMILESCC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2
InChIInChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyIXOCNACBGKRTOT-UHFFFAOYSA-M
XLogP0.81
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 53427530 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 53427530?
The IUPAC name of CID 53427530 (CID 53427530) is not available.
What is the SMILES notation for CID 53427530?
The canonical SMILES for CID 53427530 is CC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2.
What is the InChIKey of CID 53427530?
The InChIKey is IXOCNACBGKRTOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of CID 53427530?
CID 53427530 has a molecular weight of 440.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53427530 is sourced from PubChem (CID 53427530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).