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CAS 97272-02-1 5-PHENYL-2-THIOPHENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 97272-02-1

5-PHENYL-2-THIOPHENESULFONYL CHLORIDE

  • Product code: SSC-212244
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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 97272-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

97272-02-1 / 5-phenylthiophene-2-sulfonyl chloride

Standard CAS: 97272-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97272-02-1
Multi CAS
No
Molecular Formula
C10H7CLO2S2
Molecular Weight
258.700000
Exact Mass
257.957600
InChI
InChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
NHRKTBLHJKMFTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.79
TPSA
34.14

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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