CID 54604911

C3H8BiOS2 — CID 54604911

IUPAC—
SMILESOCC(S)CS.[Bi]
InChIInChI=1S/C3H8OS2.Bi/c4-1-3(6)2-5;/h3-6H,1-2H2;
InChIKeyOAIWQXFETFYYAL-UHFFFAOYSA-N
MW333.21 g/mol
LogP-0.17
Rot. Bonds2

About CID 54604911

CID 54604911 (PubChem CID 54604911) has the molecular formula C3H8BiOS2 and a molecular weight of 333.21 g/mol.

Molecular Properties

Compound NameCID 54604911
PubChem CID54604911
Molecular FormulaC3H8BiOS2
Molecular Weight333.21 g/mol
Exact Mass332.98
IUPAC Name—
SMILESOCC(S)CS.[Bi]
InChIInChI=1S/C3H8OS2.Bi/c4-1-3(6)2-5;/h3-6H,1-2H2;
InChIKeyOAIWQXFETFYYAL-UHFFFAOYSA-N
XLogP-0.17
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimercaprol
CID 3080
3-Mercaptopropanol
CID 88211
Dimercaprol, (S)-
CID 3246063
3-Sulfanyl-2-(sulfanylmethyl)propan-1-ol
CID 87063810
2-Mercaptopropanol
CID 102921
Dimercaprol, (R)-
CID 6971262
Mercaptopropanol
CID 3017470
(2R)-2-sulfanylpropan-1-ol
CID 13039564
1-Propanol, 1,2-dimercapto-
CID 147592
1,3-Bis(sulfanyl)propan-1-ol
CID 177591
1,4-Bis(sulfanyl)butan-2-ol
CID 184920
2,4-Bis(sulfanyl)butan-1-ol
CID 474198

Frequently Asked Questions

What is the IUPAC name of CID 54604911?
The IUPAC name of CID 54604911 (CID 54604911) is not available.
What is the SMILES notation for CID 54604911?
The canonical SMILES for CID 54604911 is OCC(S)CS.[Bi].
What is the InChIKey of CID 54604911?
The InChIKey is OAIWQXFETFYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2.Bi/c4-1-3(6)2-5;/h3-6H,1-2H2;.
What are the key properties of CID 54604911?
CID 54604911 has a molecular weight of 333.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54604911 is sourced from PubChem (CID 54604911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).