CID 6330230

C16H25N2S4Sb-2 — CID 6330230

IUPAC—
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Sb]c1ccccc1
InChIInChI=1S/C6H5.2C5H11NS2.Sb/c1-2-4-6-5-3-1;2*1-3-6(4-2)5(7)8;/h1-5H;2*3-4H2,1-2H3,(H,7,8);/p-2
InChIKeyBSVVAVNXHOLNNG-UHFFFAOYSA-L
MW495.42 g/mol
LogP2.80
Rot. Bonds4

About CID 6330230

CID 6330230 (PubChem CID 6330230) has the molecular formula C16H25N2S4Sb-2 and a molecular weight of 495.42 g/mol.

Molecular Properties

Compound NameCID 6330230
PubChem CID6330230
Molecular FormulaC16H25N2S4Sb-2
Molecular Weight495.42 g/mol
Exact Mass493.99
IUPAC Name—
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Sb]c1ccccc1
InChIInChI=1S/C6H5.2C5H11NS2.Sb/c1-2-4-6-5-3-1;2*1-3-6(4-2)5(7)8;/h1-5H;2*3-4H2,1-2H3,(H,7,8);/p-2
InChIKeyBSVVAVNXHOLNNG-UHFFFAOYSA-L
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6330230?
The IUPAC name of CID 6330230 (CID 6330230) is not available.
What is the SMILES notation for CID 6330230?
The canonical SMILES for CID 6330230 is CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Sb]c1ccccc1.
What is the InChIKey of CID 6330230?
The InChIKey is BSVVAVNXHOLNNG-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5.2C5H11NS2.Sb/c1-2-4-6-5-3-1;2*1-3-6(4-2)5(7)8;/h1-5H;2*3-4H2,1-2H3,(H,7,8);/p-2.
What are the key properties of CID 6330230?
CID 6330230 has a molecular weight of 495.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330230 is sourced from PubChem (CID 6330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).