CID 54599967

C3H7NPbS2 — CID 54599967

IUPAC—
SMILESCN(C)C(=S)S.[Pb]
InChIInChI=1S/C3H7NS2.Pb/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyKSGQMNLYKKOCEY-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.38
Rot. Bonds

About CID 54599967

CID 54599967 (PubChem CID 54599967) has the molecular formula C3H7NPbS2 and a molecular weight of 328.43 g/mol.

Molecular Properties

Compound NameCID 54599967
PubChem CID54599967
Molecular FormulaC3H7NPbS2
Molecular Weight328.43 g/mol
Exact Mass328.98
IUPAC Name—
SMILESCN(C)C(=S)S.[Pb]
InChIInChI=1S/C3H7NS2.Pb/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyKSGQMNLYKKOCEY-UHFFFAOYSA-N
XLogP0.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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disodium;dimethylcarbamodithioic acid;hydride
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dimethylcarbamodithioic acid;prop-2-enenitrile
CID 175475389
dimethylamino(methyl)carbamodithioic acid
CID 18736477
zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
CID 86735534
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
methoxy(methyl)carbamodithioic acid
CID 14839544
dimethylcarbamodithioic acid;3-(3-sulfopropyldisulfanyl)propane-1-sulfonic acid
CID 161081392
N,N-dimethylcarbamothioyl fluoride
CID 71367406

Frequently Asked Questions

What is the IUPAC name of CID 54599967?
The IUPAC name of CID 54599967 (CID 54599967) is not available.
What is the SMILES notation for CID 54599967?
The canonical SMILES for CID 54599967 is CN(C)C(=S)S.[Pb].
What is the InChIKey of CID 54599967?
The InChIKey is KSGQMNLYKKOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Pb/c1-4(2)3(5)6;/h1-2H3,(H,5,6);.
What are the key properties of CID 54599967?
CID 54599967 has a molecular weight of 328.43 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54599967 is sourced from PubChem (CID 54599967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).