CID 22164562

C100H200N4PbS8-4 — CID 22164562

IUPAC—
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].[Pb]
InChIInChI=1S/4C25H51NS2.Pb/c4*1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-24H2,1-2H3,(H,27,28);/p-4
InChIKeyMGDBAJGRJASCPD-UHFFFAOYSA-J
MW1922.46 g/mol
LogP35.47
Rot. Bonds88

About CID 22164562

CID 22164562 (PubChem CID 22164562) has the molecular formula C100H200N4PbS8-4 and a molecular weight of 1922.46 g/mol.

Molecular Properties

Compound NameCID 22164562
PubChem CID22164562
Molecular FormulaC100H200N4PbS8-4
Molecular Weight1922.46 g/mol
Exact Mass1921.33
IUPAC Name—
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].[Pb]
InChIInChI=1S/4C25H51NS2.Pb/c4*1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-24H2,1-2H3,(H,27,28);/p-4
InChIKeyMGDBAJGRJASCPD-UHFFFAOYSA-J
XLogP35.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds88
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.46
LogP ≤ 535.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
sodium N,N-dihexylcarbamodithioate
CID 23671974
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
tetrakis(N,N-didecylcarbamodithioate);tris(oxomolybdenum(4+));tetrasulfide
CID 22989162
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
zinc;2-(dipentylamino)ethanedithioate;N,N-dipentylcarbamodithioate
CID 523463

Frequently Asked Questions

What is the IUPAC name of CID 22164562?
The IUPAC name of CID 22164562 (CID 22164562) is not available.
What is the SMILES notation for CID 22164562?
The canonical SMILES for CID 22164562 is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].[Pb].
What is the InChIKey of CID 22164562?
The InChIKey is MGDBAJGRJASCPD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C25H51NS2.Pb/c4*1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2;/h4*3-24H2,1-2H3,(H,27,28);/p-4.
What are the key properties of CID 22164562?
CID 22164562 has a molecular weight of 1922.46 g/mol, XLogP of 35.47, 88 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22164562 is sourced from PubChem (CID 22164562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).