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CAS 6461-29-6 2H-[1,2,4]Triazole-3-sulfonyl chloride molecular structure lightbox
CAS RN: 6461-29-6

2H-[1,2,4]Triazole-3-sulfonyl chloride

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251012 1g In stock Shanghai Inquiry
Batchno.20251023 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-174335
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6461-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

6461-29-6 / 1H-1,2,4-triazole-5-sulfonyl chloride

Standard CAS: 6461-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6461-29-6
Multi CAS
No
Molecular Formula
C2H2CLN3O2S
Molecular Weight
167.580000
Exact Mass
166.955625
InChI
InChI=1S/C2H2ClN3O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKey
KRGDHNPMWOBKPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.42
TPSA
75.71

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
0.3
Consensus LogP
-0.07
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very 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)
-3.93

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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