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CAS 1186317-24-7 Stannane, (3-dodecyl-2-thienyl)trimethyl- molecular structure lightbox
CAS RN: 1186317-24-7

Stannane, (3-dodecyl-2-thienyl)trimethyl-

  • Product code: SSC-018490
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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 1186317-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1186317-24-7 / (3-dodecylthiophen-2-yl)-trimethylstannane

(3-Dodecyl-2-thienyl)trimethylstannane | (3-Dodecylthiophen-2-yl)trimethylstannane | SCHEMBL15260906

Standard CAS: 1186317-24-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186317-24-7
Multi CAS
Yes
Molecular Formula
C19H36SSn
Molecular Weight
415.300000
Exact Mass
416.155975
SMILES
CCCCCCCCCCCCC1=C(SC=C1)[Sn](C)(C)C
InChI
InChI=1S/C16H27S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;;;/h13-14H,2-12H2,1H3;3*1H3;
InChIKey
WCHNLGXGBIUEAX-UHFFFAOYSA-N
Synonyms
(3-Dodecyl-2-thienyl)trimethylstannane (3-Dodecylthiophen-2-yl)trimethylstannane SCHEMBL15260906 SY273524 CS-0456892

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
102.85
TPSA
28.2000

LogP / Solubility

WLOGP
6.76
MLOGP
5.97
XLogP3
6.76
Consensus LogP
6.5
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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