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CAS 4869-59-4 3-Mercaptobenzoic Acid molecular structure lightbox
CAS RN: 4869-59-4

3-Mercaptobenzoic Acid

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 1g In stock Inquiry
Batchno.20250907 25g Out of stock Inquiry
Batchno.20250723 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 1g In stock Shanghai, Guangdong Inquiry
Batchno.20251102 200mg In stock Shanghai, Chongqing Inquiry
Batchno.20250723 25g In stock Shanghai, Hebei Inquiry
Batchno.20251120 5g In stock Shanghai Inquiry
  • Product code: SSC-155355
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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: 5g
  • 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 4869-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

4869-59-4 / 3-sulfanylbenzoic acid

Standard CAS: 4869-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4869-59-4
Multi CAS
Yes
Molecular Formula
C7H6O2S
Molecular Weight
154.190000
Exact Mass
154.008851
InChI
InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
InChIKey
RSFDFESMVAIVKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.65
TPSA
37.3

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
2.3
Consensus LogP
1.81
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.47

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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