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CAS 100481-09-2 2-Thiazolesulfonyl chloride molecular structure lightbox
CAS RN: 100481-09-2

2-Thiazolesulfonyl chloride

  • Product code: SSC-001058
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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 100481-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100481-09-2 / 1,3-thiazole-2-sulfonyl chloride

2-THIAZOLESULFONYL CHLORIDE | Thiazole-2-sulfonyl chloride | 1,3-thiazole-2-sulfonyl Chloride

Standard CAS: 100481-09-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100481-09-2
Multi CAS
Yes
Molecular Formula
C3H2ClNO2S2
Molecular Weight
183.600000
Exact Mass
182.921548
SMILES
C1=CSC(=N1)S(=O)(=O)Cl
InChI
InChI=1S/C3H2ClNO2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H
InChIKey
HYJQWMUBCRPGDS-UHFFFAOYSA-N
Synonyms
2-THIAZOLESULFONYL CHLORIDE Thiazole-2-sulfonyl chloride 1,3-thiazole-2-sulfonyl Chloride MFCD08460252 1,3-Thiazole-2-sulfonyl Chloride;

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
35.15
TPSA
47.03

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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