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CAS 140-92-1 Potassium Isopropylxanthate molecular structure lightbox
CAS RN: 140-92-1

Potassium Isopropylxanthate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei 5-7 business days Inquiry
  • Product code: ICTI0177
  • Purity/Analytical Methods: >98.0%(T)
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140-92-1 / potassium propan-2-yloxymethanedithioate

Standard CAS: 140-92-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140-92-1
Multi CAS
No
Molecular Formula
C4H7KOS2
Molecular Weight
174.300000
Exact Mass
173.957539
SMILES
CC(C)OC(=S)[S-].[K+]
InChI
InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
InChIKey
ZMWBGRXFDPJFGC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.18
TPSA
9.23

LogP / Solubility

WLOGP
-1.75
MLOGP
-1.55
XLogP3
-1.75
Consensus LogP
-1.68
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
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)
-5.03

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)
Irritant Corrosive Acute Toxic Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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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