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CAS 1073-31-0 3,4-Thiophenedicarboxaldehyde molecular structure lightbox
CAS RN: 1073-31-0

3,4-Thiophenedicarboxaldehyde

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 100mg In stock Shanghai Inquiry
Batchno.20250319 1g In stock Shanghai Inquiry
Batchno.20250511 250mg In stock Shanghai Inquiry
Batchno.20250506 5g In stock Shanghai Inquiry
  • Product code: SSC-008839
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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: 0.25g
  • Available purity: ≥95%
  • 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 1073-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1073-31-0 / thiophene-3,4-dicarbaldehyde

thiophene-3,4-dicarbaldehyde | DTXSID10483946 | RefChem:385300

Standard CAS: 1073-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073-31-0
Multi CAS
No
Molecular Formula
C6H4O2S
Molecular Weight
140.160000
Exact Mass
139.993201
SMILES
C1=C(C(=CS1)C=O)C=O
InChI
InChI=1S/C6H4O2S/c7-1-5-3-9-4-6(5)2-8/h1-4H
InChIKey
GCYSRLXIEWTZNM-UHFFFAOYSA-N
Synonyms
thiophene-3,4-dicarbaldehyde DTXSID10483946 RefChem:385300 DTXCID10434756 3,4-Thiophenedicarboxaldehyde

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.09
TPSA
34.14

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.6

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

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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