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CAS 1074-36-8 4-Mercaptobenzoic Acid molecular structure lightbox
CAS RN: 1074-36-8

4-Mercaptobenzoic Acid

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 1g In stock Inquiry
Batchno.20250308 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100g In stock Shanghai Inquiry
Batchno.20250531 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250118 25g In stock Shandong Inquiry
Batchno.20250809 5g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 200mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: SSC-008988
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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 1074-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1074-36-8 / 4-sulfanylbenzoic acid

4-Mercaptobenzoic acid | 4-Mercaptobenzoate | para-Mercaptobenzoate

Standard CAS: 1074-36-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1074-36-8
Multi CAS
Yes
Molecular Formula
C7H6O2S
Molecular Weight
154.190000
Exact Mass
154.008851
SMILES
C1=CC(=CC=C1C(=O)O)S
InChI
InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
InChIKey
LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Synonyms
4-Mercaptobenzoic acid 4-Mercaptobenzoate para-Mercaptobenzoate DTXSID40148036 RefChem:524400

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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