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CAS 149575-65-5 1,3-Benzothiazole-4-sulfonyl Chloride molecular structure lightbox
CAS RN: 149575-65-5

1,3-Benzothiazole-4-sulfonyl Chloride

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251019 100mg In stock Shanghai Inquiry
Batchno.20250303 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250718 1g Out of stock Inquiry
Batchno.20250129 250mg In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-059558
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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 149575-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

149575-65-5 / 1,3-benzothiazole-4-sulfonyl chloride

Standard CAS: 149575-65-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149575-65-5
Multi CAS
No
Molecular Formula
C7H4ClNO2S2
Molecular Weight
233.700000
Exact Mass
232.937198
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CS2
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)9-4-12-5/h1-4H
InChIKey
IAHKZUNYBBKBDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.66
TPSA
47.03

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.4
Consensus LogP
2.19
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.57

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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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