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CAS 7695-69-4 Phenylbis(phenylthio)methane molecular structure lightbox
CAS RN: 7695-69-4

Phenylbis(phenylthio)methane

  • Product code: SSC-186401
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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 7695-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7695-69-4 / bis(phenylsulfanyl)methylbenzene

Standard CAS: 7695-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7695-69-4
Multi CAS
No
Molecular Formula
C19H16S2
Molecular Weight
308.500000
Exact Mass
308.069343
InChI
InChI=1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H
InChIKey
GSXZQHRYDJLRRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
93.78
TPSA
50.6000

LogP / Solubility

WLOGP
6.27
MLOGP
5.53
XLogP3
6.3
Consensus LogP
6.03
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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