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CAS 15894-04-9 4-Fluorobenzyl Mercaptan molecular structure lightbox
CAS RN: 15894-04-9

4-Fluorobenzyl Mercaptan

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 1g In stock Inquiry
Batchno.20250727 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-067077
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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 15894-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

15894-04-9 / (4-fluorophenyl)methanethiol

Standard CAS: 15894-04-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15894-04-9
Multi CAS
No
Molecular Formula
C7H7FS
Molecular Weight
142.200000
Exact Mass
142.025250
SMILES
C1=CC(=CC=C1CS)F
InChI
InChI=1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
RKTRHMNWVZRZJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.09
TPSA
1.0000

LogP / Solubility

WLOGP
2.26
MLOGP
1.98
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-1.99

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
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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