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CAS 1235406-42-4 tert-butyl thiazol-4-ylcarbamate molecular structure lightbox
CAS RN: 1235406-42-4

tert-butyl thiazol-4-ylcarbamate

  • Product code: SSC-027263
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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: 5
  • 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 1235406-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 3 In Stock Hong Kong Inquiry

1235406-42-4 / tert-butyl N-(1,3-thiazol-4-yl)carbamate

Standard CAS: 1235406-42-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1235406-42-4
Multi CAS
No
Molecular Formula
C8H12N2O2S
Molecular Weight
200.260000
Exact Mass
200.061949
SMILES
CC(C)(C)OC(=O)NC1=CSC=N1
InChI
InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-4-13-5-9-6/h4-5H,1-3H3,(H,10,11)
InChIKey
NNPOFSOQPYVUDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.97
TPSA
51.22

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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

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