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CAS 1468-83-3 3-Acetylthiophene molecular structure lightbox
CAS RN: 1468-83-3

3-Acetylthiophene

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 100g In stock Inquiry
Batchno.20250713 10g Out of stock Inquiry
Batchno.20251129 1g In stock Inquiry
Batchno.20251114 25g In stock Inquiry
Batchno.20260405 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 1g In stock Shanghai, Shandong Inquiry
Batchno.20251224 25g In stock Shanghai Inquiry
Batchno.20250720 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-057733
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1468-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1468-83-3 / 1-thiophen-3-ylethanone

Standard CAS: 1468-83-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1468-83-3
Multi CAS
No
Molecular Formula
C6H6OS
Molecular Weight
126.180000
Exact Mass
126.013936
SMILES
CC(=O)C1=CSC=C1
InChI
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N

Physical Properties

Melting Point
61 - 62 °C
Boiling Point
210.00 °C. @ 760.00 mm Hg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.32
TPSA
17.07

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.2
Consensus LogP
1.62
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.1

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] H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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