CAS RN: 16182-04-0
Ethoxycarbonyl Isothiocyanate
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock4 grade groups
- Product code: SSC-069389
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Beijing | Inquiry |
| 100g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >95% | 5 In Stock | Hong Kong | Inquiry |
16182-04-0 / ethyl N-(sulfanylidenemethylidene)carbamate
Basic Information
CAS
16182-04-0
Multi CAS
No
Molecular Formula
C4H5NO2S
Molecular Weight
131.160000
Exact Mass
131.004100
SMILES
CCOC(=O)N=C=S
InChI
InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
InChIKey
BDTDECDAHYOJRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.05
TPSA
38.66
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
2.3
Consensus LogP
1.55
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.64
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
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (90.2%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (84.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (90.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H331 (88.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501
