CID 6330227

C17H20NS2Sb- — CID 6330227

IUPAC—
SMILESCCN(CC)C(=S)[S-].c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/2C6H5.C5H11NS2.Sb/c2*1-2-4-6-5-3-1;1-3-6(4-2)5(7)8;/h2*1-5H;3-4H2,1-2H3,(H,7,8);/p-1
InChIKeyYOZUKTCDDDMERA-UHFFFAOYSA-M
MW424.25 g/mol
LogP2.50
Rot. Bonds4

About CID 6330227

CID 6330227 (PubChem CID 6330227) has the molecular formula C17H20NS2Sb- and a molecular weight of 424.25 g/mol.

Molecular Properties

Compound NameCID 6330227
PubChem CID6330227
Molecular FormulaC17H20NS2Sb-
Molecular Weight424.25 g/mol
Exact Mass423.01
IUPAC Name—
SMILESCCN(CC)C(=S)[S-].c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/2C6H5.C5H11NS2.Sb/c2*1-2-4-6-5-3-1;1-3-6(4-2)5(7)8;/h2*1-5H;3-4H2,1-2H3,(H,7,8);/p-1
InChIKeyYOZUKTCDDDMERA-UHFFFAOYSA-M
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 6330227?
The IUPAC name of CID 6330227 (CID 6330227) is not available.
What is the SMILES notation for CID 6330227?
The canonical SMILES for CID 6330227 is CCN(CC)C(=S)[S-].c1ccc([Sb]c2ccccc2)cc1.
What is the InChIKey of CID 6330227?
The InChIKey is YOZUKTCDDDMERA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H5.C5H11NS2.Sb/c2*1-2-4-6-5-3-1;1-3-6(4-2)5(7)8;/h2*1-5H;3-4H2,1-2H3,(H,7,8);/p-1.
What are the key properties of CID 6330227?
CID 6330227 has a molecular weight of 424.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330227 is sourced from PubChem (CID 6330227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).