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CAS 1208-88-4 4-(PHENYLTHIO)BENZALDEHYDE molecular structure lightbox
CAS RN: 1208-88-4

4-(PHENYLTHIO)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 100g In stock Inquiry
Batchno.20260105 1g In stock Inquiry
Batchno.20251025 25g In stock Inquiry
Batchno.20260121 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-022087
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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: ≥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 1208-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1208-88-4 / 4-phenylsulfanylbenzaldehyde

4-(Phenylthio)benzaldehyde | p-(Phenylthio)benzaldehyde | Benzaldehyde, p-phenylthio-

Standard CAS: 1208-88-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208-88-4
Multi CAS
No
Molecular Formula
C13H10OS
Molecular Weight
214.280000
Exact Mass
214.045236
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChIKey
VDNBWBPUFMZCEW-UHFFFAOYSA-N
Synonyms
4-(Phenylthio)benzaldehyde p-(Phenylthio)benzaldehyde Benzaldehyde, p-phenylthio- p-Phenylthiobenzaldehyde BRN 2255322

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.39
TPSA
17.07

LogP / Solubility

WLOGP
3.65
MLOGP
3.21
XLogP3
3.5
Consensus LogP
3.45
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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