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CAS 18494-87-6 1-BENZOTHIOPHENE-3-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 18494-87-6

1-BENZOTHIOPHENE-3-SULFONYL CHLORIDE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251003 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250709 250mg In stock Shenzhen Inquiry
Batchno.20260606 5g Out of stock Inquiry
  • Product code: SSC-085517
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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 18494-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

18494-87-6 / 1-benzothiophene-3-sulfonyl chloride

Standard CAS: 18494-87-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18494-87-6
Multi CAS
No
Molecular Formula
C8H5ClO2S2
Molecular Weight
232.700000
Exact Mass
231.941949
SMILES
C1=CC=C2C(=C1)C(=CS2)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKey
WYYRQMZTUXFUTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.86
TPSA
34.14

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.81
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-2.13

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501

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