CID 175796213

C16H26SSb — CID 175796213

IUPAC—
SMILESCCCCCCCC[Sb]CCSc1ccccc1
InChIInChI=1S/C8H9S.C8H17.Sb/c1-2-9-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;/h3-7H,1-2H2;1,3-8H2,2H3;
InChIKeyXNJQPVUTHBPQNY-UHFFFAOYSA-N
MW372.21 g/mol
LogP5.68
Rot. Bonds11

About CID 175796213

CID 175796213 (PubChem CID 175796213) has the molecular formula C16H26SSb and a molecular weight of 372.21 g/mol.

Molecular Properties

Compound NameCID 175796213
PubChem CID175796213
Molecular FormulaC16H26SSb
Molecular Weight372.21 g/mol
Exact Mass371.08
IUPAC Name—
SMILESCCCCCCCC[Sb]CCSc1ccccc1
InChIInChI=1S/C8H9S.C8H17.Sb/c1-2-9-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;/h3-7H,1-2H2;1,3-8H2,2H3;
InChIKeyXNJQPVUTHBPQNY-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175796213?
The IUPAC name of CID 175796213 (CID 175796213) is not available.
What is the SMILES notation for CID 175796213?
The canonical SMILES for CID 175796213 is CCCCCCCC[Sb]CCSc1ccccc1.
What is the InChIKey of CID 175796213?
The InChIKey is XNJQPVUTHBPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.C8H17.Sb/c1-2-9-8-6-4-3-5-7-8;1-3-5-7-8-6-4-2;/h3-7H,1-2H2;1,3-8H2,2H3;.
What are the key properties of CID 175796213?
CID 175796213 has a molecular weight of 372.21 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175796213 is sourced from PubChem (CID 175796213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).