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CAS 250-94-2 4H-THIENO[3,2-B]PYRROLE molecular structure lightbox
CAS RN: 250-94-2

4H-THIENO[3,2-B]PYRROLE

  • Product code: SSC-120381
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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: 1g
  • 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 250-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

250-94-2 / 4H-thieno[3,2-b]pyrrole

Standard CAS: 250-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
250-94-2
Multi CAS
No
Molecular Formula
C6H5NS
Molecular Weight
123.180000
Exact Mass
123.014270
InChI
InChI=1S/C6H5NS/c1-3-7-5-2-4-8-6(1)5/h1-4,7H
InChIKey
DWAIOCIOSRZZHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.18
TPSA
15.79

LogP / Solubility

WLOGP
2.23
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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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