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CAS 38449-49-9 2,3-DIHYDRO-2-THIOXO-4-THIAZOLEACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 38449-49-9

2,3-DIHYDRO-2-THIOXO-4-THIAZOLEACETIC ACID ETHYL ESTER

  • Product code: SSC-146085
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • 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 38449-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
10g ≥97% 1 In Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

38449-49-9 / ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate

Standard CAS: 38449-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38449-49-9
Multi CAS
No
Molecular Formula
C7H9NO2S2
Molecular Weight
203.300000
Exact Mass
203.007471
InChI
InChI=1S/C7H9NO2S2/c1-2-10-6(9)3-5-4-12-7(11)8-5/h4H,2-3H2,1H3,(H,8,11)
InChIKey
ZIXKPHHHPPZJFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.84
TPSA
42.09

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1
Consensus LogP
1.53
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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