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CAS 119405-65-1 Tributyl(3-thienyl)tin molecular structure lightbox
CAS RN: 119405-65-1

Tributyl(3-thienyl)tin

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 10g Out of stock Inquiry
Batchno.20250514 1g In stock Shanghai Inquiry
Batchno.20250405 1g / 5g / 10g Out of stock 5-7 business days Inquiry
Batchno.20250910 25g Out of stock Inquiry
Batchno.20260517 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS119405-65-1
  • Purity/Analytical Methods: >99.0%
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119405-65-1 / tributyl(thiophen-3-yl)stannane

Stannane, tributyl-3-thienyl- | DTXSID90449863 | RefChem:381988

Standard CAS: 119405-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119405-65-1
Multi CAS
No
Molecular Formula
C16H30SSn
Molecular Weight
373.200000
Exact Mass
374.109025
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CSC=C1
InChI
InChI=1S/C4H3S.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
BCAFYQWNCAXPRR-UHFFFAOYSA-N
Synonyms
Stannane, tributyl-3-thienyl- DTXSID90449863 RefChem:381988 DTXCID20400684 TRIBUTYL(THIOPHEN-3-YL)STANNANE

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
88.85
TPSA
28.2000

LogP / Solubility

WLOGP
5.8
MLOGP
5.13
XLogP3
5.8
Consensus LogP
5.58
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
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)
-0.88

Drug-likeness / Medicinal Chemistry

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

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