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CAS 1261635-51-1 2-iodo-4,5-dimethylthiophene-3-carboxylic acid molecular structure lightbox
CAS RN: 1261635-51-1

2-iodo-4,5-dimethylthiophene-3-carboxylic acid

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 50mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 100mg Out of stock Inquiry
Batchno.20250406 250mg Out of stock Inquiry
Batchno.20250403 50mg Out of stock Inquiry
  • Product code: SSC-032735
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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 1261635-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1261635-51-1 / 2-iodo-4,5-dimethylthiophene-3-carboxylic acid

Standard CAS: 1261635-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261635-51-1
Multi CAS
No
Molecular Formula
C7H7IO2S
Molecular Weight
282.100000
Exact Mass
281.921150
SMILES
CC1=C(SC(=C1C(=O)O)I)C
InChI
InChI=1S/C7H7IO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10)
InChIKey
ZJTSQLIZQRJASW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.47
TPSA
37.3

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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