CAS RN: 1562989-18-7
Bis(difluoromethylsulfinyloxy)zinc
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS1562989-18-7
- Purity/Analytical Methods: >99.0%
1562989-18-7 / bis(difluoromethanesulfinic acid);zinc
Basic Information
CAS
1562989-18-7
Multi CAS
No
Molecular Formula
C2H4F4O4S2Zn
Molecular Weight
297.600000
Exact Mass
295.877855
SMILES
C(F)(F)S(=O)O.C(F)(F)S(=O)O.[Zn]
InChI
InChI=1S/2CH2F2O2S.Zn/c2*2-1(3)6(4)5;/h2*1H,(H,4,5);
InChIKey
SVKJOUIZQRKDAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.55
TPSA
74.6
LogP / Solubility
WLOGP
0.86
MLOGP
0.77
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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