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CAS 2530-10-1 3-Acetyl-2,5-dimethylthiophene molecular structure lightbox
CAS RN: 2530-10-1

3-Acetyl-2,5-dimethylthiophene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 2g / 10g / 50g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-121158
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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, 10g, 5g, 25g
  • Available purity: ≥98%
  • 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 2530-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g ≥98% 1 In Stock Beijing Inquiry
10g -- 1 In Stock Shanghai Inquiry
10g ≥98% 1 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

2530-10-1 / 1-(2,5-dimethylthiophen-3-yl)ethanone

Standard CAS: 2530-10-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2530-10-1
Multi CAS
No
Molecular Formula
C8H10OS
Molecular Weight
154.230000
Exact Mass
154.045236
SMILES
CC1=CC(=C(S1)C)C(=O)C
InChI
InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKey
PUSJAEJRDNPYKM-UHFFFAOYSA-N

Physical Properties

Boiling Point
223.00 to 225.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.8
TPSA
17.07

LogP / Solubility

WLOGP
2.57
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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