CAS RN: 5719-73-3
Sodium hexamethylene-1,6-bisthiosulfate dihydrate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: LINS889728
5719-73-3 / sulfurothioic O-acid
Basic Information
CAS
5719-73-3
Multi CAS
Yes
Molecular Formula
H2O3S2
Molecular Weight
114.150000
Exact Mass
113.944536
InChI
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey
DHCDFWKWKRSZHF-UHFFFAOYSA-N
Physical Properties
Melting Point
48 °C
Boiling Point
100°C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
20.77
TPSA
57.53
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
0.3
Consensus LogP
-0.1
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very 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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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