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CAS 68341-09-3 [[2,2′-(1,2-Dimethyl-1,2-ethanediylidene)bis[N-methylhydrazinecarbothioamidato]]] copper molecular structure lightbox
CAS RN: 68341-09-3

[[2,2′-(1,2-Dimethyl-1,2-ethanediylidene)bis[N-methylhydrazinecarbothioamidato]]] copper

  • Product code: SSC-178103
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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: 0.25g
  • 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 68341-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

68341-09-3 / copper N'-methyl-N-[(E)-[(3E)-3-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate

Standard CAS: 68341-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68341-09-3
Multi CAS
Yes
Molecular Formula
C9H14N6S2U
Molecular Weight
321.900000
Exact Mass
321.001734
InChI
InChI=1S/C8H16N6S2.Cu/c1-5(11-13-7(15)9-3)6(2)12-14-8(16)10-4;/h1-4H3,(H2,9,13,15)(H2,10,14,16);/q;+2/p-2/b11-5+,12-6+;
InChIKey
SBHDKYTVDCRMOE-JPAPVDFESA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
73.94
TPSA
73.5

LogP / Solubility

WLOGP
-0.02
XLogP3
-0.02
Consensus LogP
-0.01
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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