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CAS 24933-57-1 4-(DIFLUOROMETHYLTHIO)NITROBENZENE molecular structure lightbox
CAS RN: 24933-57-1

4-(DIFLUOROMETHYLTHIO)NITROBENZENE

  • Product code: SSC-120241
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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 24933-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

24933-57-1 / 1-(difluoromethylsulfanyl)-4-nitrobenzene

Standard CAS: 24933-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24933-57-1
Multi CAS
No
Molecular Formula
C7H5F2NO2S
Molecular Weight
205.180000
Exact Mass
205.000906
SMILES
C1=CC(=CC=C1[N+](=O)[O-])SC(F)F
InChI
InChI=1S/C7H5F2NO2S/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChIKey
OPMAJTTXWQKVIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
44.96
TPSA
43.14

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
3.2
Consensus LogP
2.89
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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