[email protected]
CAS 61656-02-8 2,3,7,8-TETRACHLOROTHIANTHRENE molecular structure lightbox
CAS RN: 61656-02-8

2,3,7,8-TETRACHLOROTHIANTHRENE

  • Product code: SSC-170603
GET A QUOTE
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
Request Bulk Quote

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 61656-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

61656-02-8 / 2,3,7,8-tetrachlorothianthrene

Standard CAS: 61656-02-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61656-02-8
Multi CAS
Yes
Molecular Formula
C12H4CL4S2
Molecular Weight
354.100000
Exact Mass
353.847903
InChI
InChI=1S/C12H4Cl4S2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
InChIKey
JCJOKFLPNGCLSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
81.17
TPSA
50.6000

LogP / Solubility

WLOGP
6.92
MLOGP
6.1
XLogP3
6.6
Consensus LogP
6.54
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
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
Yes
Log Kp (skin permeation)
0.03

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us