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CAS 19228-91-2 TERT-BUTYL N-(3-THIENYL)CARBAMATE molecular structure lightbox
CAS RN: 19228-91-2

TERT-BUTYL N-(3-THIENYL)CARBAMATE

  • Product code: SSC-089977
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19228-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

19228-91-2 / tert-butyl N-thiophen-3-ylcarbamate

Standard CAS: 19228-91-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19228-91-2
Multi CAS
No
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
SMILES
CC(C)(C)OC(=O)NC1=CSC=C1
InChI
InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
InChIKey
PRWYQCYSADTIBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.18
TPSA
38.33

LogP / Solubility

WLOGP
3.1
MLOGP
2.72
XLogP3
1.7
Consensus LogP
2.51
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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