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CAS 877861-76-2 1H-IMidazole-2-sulfonyl chloride hydrochloride molecular structure lightbox
CAS RN: 877861-76-2

1H-IMidazole-2-sulfonyl chloride hydrochloride

  • Product code: SSC-198071
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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 877861-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

877861-76-2 / 1H-imidazole-2-sulfonyl chloride;hydrochloride

Standard CAS: 877861-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877861-76-2
Multi CAS
No
Molecular Formula
C3H4CL2N2O2S
Molecular Weight
203.050000
Exact Mass
201.937054
InChI
InChI=1S/C3H3ClN2O2S.ClH/c4-9(7,8)3-5-1-2-6-3;/h1-2H,(H,5,6);1H
InChIKey
PLUHSJKCLGXHLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.87
TPSA
62.82

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.42

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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