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CAS 98-03-3 2-Thiophenecarboxaldehyde (stabilized with HQ) molecular structure lightbox
CAS RN: 98-03-3

2-Thiophenecarboxaldehyde (stabilized with HQ)

  • Product code: SSC-212430
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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: 25g, 50g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 98-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 2 In Stock Hong Kong Inquiry
50g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

98-03-3 / thiophene-2-carbaldehyde

Standard CAS: 98-03-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98-03-3
Multi CAS
Yes
Molecular Formula
C5H4OS
Molecular Weight
112.150000
Exact Mass
111.998286
InChI
InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKey
CNUDBTRUORMMPA-UHFFFAOYSA-N

Physical Properties

Boiling Point
75.00 to 77.00 °C. @ 11.00 mm Hg
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.71
TPSA
17.07

LogP / Solubility

WLOGP
1.56
MLOGP
1.36
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.3

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

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