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CAS 6481-73-8 4-Methylbenzenethiosulfinic acid S-(4-methylphenyl) ester molecular structure lightbox
CAS RN: 6481-73-8

4-Methylbenzenethiosulfinic acid S-(4-methylphenyl) ester

  • Product code: SSC-174482
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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 6481-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6481-73-8 / 1-methyl-4-(4-methylphenyl)sulfinylsulfanylbenzene

Standard CAS: 6481-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6481-73-8
Multi CAS
No
Molecular Formula
C14H14OS2
Molecular Weight
262.400000
Exact Mass
262.048607
InChI
InChI=1S/C14H14OS2/c1-11-3-7-13(8-4-11)16-17(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
DYXUFWJNNVLBRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.62
TPSA
17.07

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-1.4

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
2

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