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Sulfur hexafluoride

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Sulfur hexafluoride
IUPAC Name: hexafluoro-?6-sulfane
Molecular Formula: F6S
SMILES: FS(F)(F)(F)(F)F
Inchi: 1S/F6S/c1-7(2,3,4,5)6
Inchi Key: SFZCNBIFKDRMGX-UHFFFAOYSA-N
Cas No: 2551-62-4

Functional Group

Drug Likeness

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

Cross References

PubChem: 17358
Zinc: ZINC245224194
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 146.06
Mass (g/mol) 145.962
Molar Refractivity 14.24
Net Charge
HBD
HBA 4
Rt Bonds 0
Rings
TPSA 25.30
Hetero Atoms 7
Heavy Atoms 7
Aromatic Heavy Atoms 0
Melting Point (°C) -50.8
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.67
LogP 3.169
iLOGP 1.59
XLOGP3 1.48
WLOGP 1.50
MLOGP -1.09
ESOL Log S -1.91
ESOL Solubility (mg/ml) 3.2
ESOL Solubility (mol/l) 0.012
ESOL Class: esol_class Very soluble
Ali Log S -3.67
Ali Solubility (mg/ml) 0.05
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw -0.50
Silicos-IT Solubility (mg/ml) 81.7
Silicos-IT Solubility (mol/l) 0.32
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -6.82
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding -0.133
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.05
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