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CAS 39565-69-0 N-(1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YL)-N-PHENYLAMINE molecular structure lightbox
CAS RN: 39565-69-0

N-(1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YL)-N-PHENYLAMINE

  • Product code: SSC-147251
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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 39565-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

39565-69-0 / 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-3-amine

Standard CAS: 39565-69-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39565-69-0
Multi CAS
Yes
Molecular Formula
C10H11NO2S
Molecular Weight
209.270000
Exact Mass
209.051050
InChI
InChI=1S/C10H11NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-7,10-11H,8H2
InChIKey
LBFHMWULQVSCQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.78
TPSA
46.17

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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