CAS RN: 13001-46-2
Potassium O-Isobutyl Dithiocarbonate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Guangdong | Inquiry |
- Product code: starshine_CAS13001-46-2
- Purity/Analytical Methods: >99.0%
13001-46-2 / potassium 2-methylpropoxymethanedithioate
Basic Information
CAS
13001-46-2
Multi CAS
No
Molecular Formula
C5H9KOS2
Molecular Weight
188.400000
Exact Mass
187.973189
SMILES
CC(C)COC(=S)[S-].[K+]
InChI
InChI=1S/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKey
CRAXZMAICBMTCW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.75
TPSA
9.23
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.33
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Irritant
Health Hazard
Acute Toxic
Signal
Danger
GHS Hazard Statements
H228 (75%): Flammable solid [Danger Flammable solids]
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (75%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P210, P240, P241, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P405, and P501
P203, P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P405, and P501
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