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CAS 71977-56-5 2,7-NAPHTHALENEDITHIOL molecular structure lightbox
CAS RN: 71977-56-5

2,7-NAPHTHALENEDITHIOL

  • Product code: SSC-181490
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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 71977-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

71977-56-5 / naphthalene-2,7-dithiol

Standard CAS: 71977-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71977-56-5
Multi CAS
No
Molecular Formula
C10H8S2
Molecular Weight
192.300000
Exact Mass
192.006743
InChI
InChI=1S/C10H8S2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
InChIKey
INUVVGTZMFIDJF-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
3.5
Consensus LogP
3.31
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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