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CAS 141-98-0 O-isopropyl ethylthiocarbamate molecular structure lightbox
CAS RN: 141-98-0

O-isopropyl ethylthiocarbamate

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 1kg In stock Shandong, Chongqing Inquiry
Batchno.20260219 500g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250401 5kg In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260327 500g / 1kg / 5kg Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS141-98-0
  • Purity/Analytical Methods: >99.0%
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141-98-0 / O-propan-2-yl N-ethylcarbamothioate

Standard CAS: 141-98-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
141-98-0
Multi CAS
No
Molecular Formula
C6H13NOS
Molecular Weight
147.240000
Exact Mass
147.071785
SMILES
CCNC(=S)OC(C)C
InChI
InChI=1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)
InChIKey
KIACEOHPIRTHMI-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.5
TPSA
21.26

LogP / Solubility

WLOGP
1.31
MLOGP
1.14
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.69

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 Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (80.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (21.4%): Causes skin irritation [Warning Skin corrosion/irritation] H361fd (17.9%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity] H411 (80.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 P203, P264, P270, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P405, and P501

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