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CAS 120121-07-5 5-Fluoro-2-Mercaptobenzoic acid molecular structure lightbox
CAS RN: 120121-07-5

5-Fluoro-2-Mercaptobenzoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251014 1g In stock Shanghai Inquiry
Batchno.20250523 250mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-020914
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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 120121-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

120121-07-5 / 5-fluoro-2-sulfanylbenzoic acid

5-Fluoro-2-mercaptobenzoic acid | DTXSID40382615 | RefChem:102624

Standard CAS: 120121-07-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120121-07-5
Multi CAS
No
Molecular Formula
C7H5FO2S
Molecular Weight
172.180000
Exact Mass
171.999429
SMILES
C1=CC(=C(C=C1F)C(=O)O)S
InChI
InChI=1S/C7H5FO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)
InChIKey
WSOZOINWBSJTER-UHFFFAOYSA-N
Synonyms
5-Fluoro-2-mercaptobenzoic acid DTXSID40382615 RefChem:102624 DTXCID20333640 622-490-0

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.61
TPSA
37.3

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.48

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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