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CAS 2119752-09-7 [2,2′-Bithiophene]-3,3′-dicarbonitrile, 5,5′-bis(trimethylstannyl)- molecular structure lightbox
CAS RN: 2119752-09-7

[2,2′-Bithiophene]-3,3′-dicarbonitrile, 5,5′-bis(trimethylstannyl)-

  • Product code: SSC-101240
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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 2119752-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2119752-09-7 / 2-(3-cyano-5-trimethylstannylthiophen-2-yl)-5-trimethylstannylthiophene-3-carbonitrile

Standard CAS: 2119752-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2119752-09-7
Multi CAS
No
Molecular Formula
C16H20N2S2Sn2
Molecular Weight
541.900000
Exact Mass
541.910600
SMILES
C[Sn](C)(C)C1=CC(=C(S1)C2=C(C=C(S2)[Sn](C)(C)C)C#N)C#N
InChI
InChI=1S/C10H2N2S2.6CH3.2Sn/c11-5-7-1-3-13-9(7)10-8(6-12)2-4-14-10;;;;;;;;/h1-2H;6*1H3;;
InChIKey
FEEONDYHQRQKFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
103.02
TPSA
47.58

LogP / Solubility

WLOGP
4.31
MLOGP
3.83
XLogP3
4.31
Consensus LogP
4.15
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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