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CAS 100342-30-1 N-tert-Butyl-2-thiophenesulfonamide molecular structure lightbox
CAS RN: 100342-30-1

N-tert-Butyl-2-thiophenesulfonamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-000850
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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, 5g, 25g
  • Available purity: >97%
  • 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 100342-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

100342-30-1 / N-tert-butylthiophene-2-sulfonamide

N-(TERT-BUTYL)-2-THIOPHENESULFONAMIDE | RefChem:828698 | 632-695-7

Standard CAS: 100342-30-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100342-30-1
Multi CAS
Yes
Molecular Formula
C8H13NO2S2
Molecular Weight
219.300000
Exact Mass
219.038771
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CS1
InChI
InChI=1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChIKey
CLKMBGGZGFULOO-UHFFFAOYSA-N
Synonyms
N-(TERT-BUTYL)-2-THIOPHENESULFONAMIDE RefChem:828698 632-695-7 N-tert-Butyl-2-thiophenesulfonamide N-tert-butylthiophene-2-sulfonamide

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.39
TPSA
46.17

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.76

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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