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CAS 58457-24-2 5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 58457-24-2

5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 1g In stock Inquiry
Batchno.20260430 250mg In stock Inquiry
Batchno.20260621 5g In stock Inquiry
  • Product code: starshine_CAS58457-24-2
  • Purity/Analytical Methods: >99.0%
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58457-24-2 / 5-chloro-4-nitrothiophene-2-sulfonyl chloride

Standard CAS: 58457-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58457-24-2
Multi CAS
No
Molecular Formula
C4HCL2NO4S2
Molecular Weight
262.100000
Exact Mass
260.872405
InChI
InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey
SGHAHFHTASPNKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.02
TPSA
77.28

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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