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CAS 5325-88-2 1,5-Dimercaptonaphthalene molecular structure lightbox
CAS RN: 5325-88-2

1,5-Dimercaptonaphthalene

  • Product code: SSC-160471
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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: ≥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 5325-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

5325-88-2 / naphthalene-1,5-dithiol

Standard CAS: 5325-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5325-88-2
Multi CAS
No
Molecular Formula
C10H8S2
Molecular Weight
192.300000
Exact Mass
192.006743
InChI
InChI=1S/C10H8S2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKey
AAPAGLBSROJFGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.45
TPSA
2.0000

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
3.7
Consensus LogP
3.38
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

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

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