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CAS 105445-58-7 2-TRIBUTYLSTANNYLBENZOTHIAZOLE molecular structure lightbox
CAS RN: 105445-58-7

2-TRIBUTYLSTANNYLBENZOTHIAZOLE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250721 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250115 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251211 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-007182
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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 105445-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105445-58-7 / 1,3-benzothiazol-2-yl(tributyl)stannane

2-(Tributylstannyl)-1,3-benzothiazole | DTXSID30396069 | RefChem:254843

Standard CAS: 105445-58-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105445-58-7
Multi CAS
Yes
Molecular Formula
C19H31NSSn
Molecular Weight
424.200000
Exact Mass
425.119924
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey
BIXRSCVOWFUPML-UHFFFAOYSA-N
Synonyms
2-(Tributylstannyl)-1,3-benzothiazole DTXSID30396069 RefChem:254843 DTXCID30346928 807-287-9

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.63
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
104.15
TPSA
12.89

LogP / Solubility

WLOGP
6.35
MLOGP
5.62
XLogP3
6.35
Consensus LogP
6.11
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

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