Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)

C9H15NPbS2 — CID 54605419

IUPAC—
SMILESC=C(C)CN(CC(=C)C)C(=S)S.[Pb]
InChIInChI=1S/C9H15NS2.Pb/c1-7(2)5-10(9(11)12)6-8(3)4;/h1,3,5-6H2,2,4H3,(H,11,12);
InChIKeyJVBQZACUEMEDHE-UHFFFAOYSA-N
MW408.56 g/mol
LogP2.27
Rot. Bonds4

About Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)

Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1) (PubChem CID 54605419) has the molecular formula C9H15NPbS2 and a molecular weight of 408.56 g/mol.

Molecular Properties

Compound NameBis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)
PubChem CID54605419
Molecular FormulaC9H15NPbS2
Molecular Weight408.56 g/mol
Exact Mass409.04
IUPAC Name—
SMILESC=C(C)CN(CC(=C)C)C(=S)S.[Pb]
InChIInChI=1S/C9H15NS2.Pb/c1-7(2)5-10(9(11)12)6-8(3)4;/h1,3,5-6H2,2,4H3,(H,11,12);
InChIKeyJVBQZACUEMEDHE-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)?
The IUPAC name of Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1) (CID 54605419) is not available.
What is the SMILES notation for Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)?
The canonical SMILES for Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1) is C=C(C)CN(CC(=C)C)C(=S)S.[Pb].
What is the InChIKey of Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)?
The InChIKey is JVBQZACUEMEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2.Pb/c1-7(2)5-10(9(11)12)6-8(3)4;/h1,3,5-6H2,2,4H3,(H,11,12);.
What are the key properties of Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1)?
Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1) has a molecular weight of 408.56 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(2-methylprop-2-en-1-yl)carbamodithioic acid--lead (1/1) is sourced from PubChem (CID 54605419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).