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CAS 207511-11-3 Sodium 2-Mercapto-5-benzimidazolesulfonate Dihydrate molecular structure lightbox
CAS RN: 207511-11-3

Sodium 2-Mercapto-5-benzimidazolesulfonate Dihydrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 100g In stock Shanghai Inquiry
Batchno.20260216 1g In stock Shanghai Inquiry
Batchno.20260620 25g In stock Shanghai Inquiry
Batchno.20260518 5g In stock Shanghai Inquiry
  • Product code: SSC-097682
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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: 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 207511-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

207511-11-3 / sodium;2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate;dihydrate

Standard CAS: 207511-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207511-11-3
Multi CAS
No
Molecular Formula
C7H9N2NaO5S2
Molecular Weight
288.300000
Exact Mass
287.985058
SMILES
C1=CC2=C(C=C1S(=O)(=O)[O-])NC(=S)N2.O.O.[Na+]
InChI
InChI=1S/C7H6N2O3S2.Na.2H2O/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;;;/h1-3H,(H2,8,9,13)(H,10,11,12);;2*1H2/q;+1;;/p-1
InChIKey
OIYOMRFNKQEDEH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.67
TPSA
151.78

LogP / Solubility

WLOGP
-3.52
MLOGP
-3.08
XLogP3
-3.52
Consensus LogP
-3.37
Log S (ESOL)
0.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.97

Drug-likeness / Medicinal Chemistry

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

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