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CAS 2492-26-4 Sodium 2-Mercaptobenzothiazole molecular structure lightbox
CAS RN: 2492-26-4

Sodium 2-Mercaptobenzothiazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 100g / 500g / 2.5kg / 10kg / 20kg Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
  • Product code: SSC-120215
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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: 500g
  • Available purity: ≥97%
  • 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 2492-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

2492-26-4 / sodium 1,3-benzothiazole-2-thiolate

Standard CAS: 2492-26-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2492-26-4
Multi CAS
No
Molecular Formula
C7H4NNaS2
Molecular Weight
189.200000
Exact Mass
188.968286
SMILES
C1=CC=C2C(=C1)N=C(S2)[S-].[Na+]
InChI
InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
VLDHWMAJBNWALQ-UHFFFAOYSA-M

Physical Properties

Melting Point
21 °F (NTP, 1992)
Boiling Point
217 °F at 760 mmHg (NTP, 1992)
Density
1.25 to 1.28 at 77 °F (NTP, 1992) DENSITY 10.5 LB/GAL (50% AQ SOLN)
Physical Description
Sodium 2-mercaptobenzothiazol solution appears as an amber liquid with an odor of old rubber. A 50% aqueous solution. Denser than water. (USCG, 1999) Liquid; Pellets or Large Crystals 50% aqueous solution: Light amber liquid; [HSDB] Light yellow crystalline powder with a stench
Appearance
LIGHT-AMBER LIQUID /50% AQUEOUS SOLN/
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.25
TPSA
12.89

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.7
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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