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CAS 10169-55-8 4-ACETYLDIPHENYL SULFIDE molecular structure lightbox
CAS RN: 10169-55-8

4-ACETYLDIPHENYL SULFIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-002611
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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: ≥98%
  • 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 10169-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

10169-55-8 / 1-(4-phenylsulfanylphenyl)ethanone

4-Acetyldiphenyl Sulfide | 1-(4-(Phenylthio)phenyl)ethanone | 1-(4-phenylsulfanylphenyl)ethanone

Standard CAS: 10169-55-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10169-55-8
Multi CAS
No
Molecular Formula
C14H12OS
Molecular Weight
228.310000
Exact Mass
228.060886
SMILES
CC(=O)C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
XUDYHODVSUXRPW-UHFFFAOYSA-N
Synonyms
4-Acetyldiphenyl Sulfide 1-(4-(Phenylthio)phenyl)ethanone 1-(4-phenylsulfanylphenyl)ethanone 1-[4-(phenylthio)phenyl]ethan-1-one Ethanone, 1-[4-(phenylthio)phenyl]-

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.01
TPSA
17.07

LogP / Solubility

WLOGP
4.04
MLOGP
3.56
XLogP3
3.6
Consensus LogP
3.73
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501

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