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CAS 157025-34-8 2-(Methylthio)-5-(tributylstannyl)thiazole molecular structure lightbox
CAS RN: 157025-34-8

2-(Methylthio)-5-(tributylstannyl)thiazole

  • Product code: SSC-066232
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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: 5g
  • 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 157025-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

157025-34-8 / tributyl-(2-methylsulfanyl-1,3-thiazol-5-yl)stannane

Standard CAS: 157025-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157025-34-8
Multi CAS
No
Molecular Formula
C16H31NS2Sn
Molecular Weight
420.300000
Exact Mass
421.091995
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)SC
InChI
InChI=1S/C4H4NS2.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
DEJBNAXALAZNEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
3
Molar refractivity
98.43
TPSA
12.89

LogP / Solubility

WLOGP
5.92
MLOGP
5.24
XLogP3
5.92
Consensus LogP
5.69
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
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)
-1.08

Drug-likeness / Medicinal Chemistry

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

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