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Lead dithiocyanate

Odors

No information available

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Lead dithiocyanate
IUPAC Name: lead(2+);dithiocyanate
Molecular Formula: Pb(CNS)2
SMILES: C(#N)[S-].C(#N)[S-].[Pb+2]
Inchi: 1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2
Inchi Key: VRNINGUKUJWZTH-UHFFFAOYSA-L
Cas No: 592-87-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 2
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 11616
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 323.36
Mass (g/mol) 323.927
Molar Refractivity 31.71
Net Charge
HBD
HBA 2
Rt Bonds 0
Rings
TPSA 47.58
Hetero Atoms
Heavy Atoms 7
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 1.13
WLOGP -0.35
MLOGP -1.41
ESOL Log S -2.56
ESOL Solubility (mg/ml) 0.897
ESOL Solubility (mol/l) 0.003
ESOL Class: esol_class Soluble
Ali Log S -1.72
Ali Solubility (mg/ml) 6.12
Ali Solubility (mol/l) 0.02
Ali Class Very soluble
Silicos-IT LogSw 0.10
Silicos-IT Solubility (mg/ml) 408
Silicos-IT Solubility (mol/l) 1.26
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.47
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.528
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.795
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0