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CAS 97272-04-3 2,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 97272-04-3

2,5-DIMETHYL-3-THIOPHENESULFONYL CHLORIDE

  • Product code: SSC-212245
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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 97272-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

97272-04-3 / 2,5-dimethylthiophene-3-sulfonyl chloride

Standard CAS: 97272-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97272-04-3
Multi CAS
No
Molecular Formula
C6H7CLO2S2
Molecular Weight
210.700000
Exact Mass
209.957600
InChI
InChI=1S/C6H7ClO2S2/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKey
CMTPCYKEUFDVAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.83
TPSA
34.14

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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