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CAS 37496-13-2 37496-13-2 molecular structure lightbox
CAS RN: 37496-13-2

37496-13-2

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250407 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251213 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS37496-13-2
  • Purity/Analytical Methods: >99.0%
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37496-13-2 / trimethyl(thiophen-2-yl)stannane

Standard CAS: 37496-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37496-13-2
Multi CAS
Yes
Molecular Formula
C7H12NS2
Molecular Weight
246.950000
Exact Mass
247.968174
InChI
InChI=1S/C4H3S.3CH3.Sn/c1-2-4-5-3-1;;;;/h1-3H;3*1H3;
InChIKey
ZGWZWRHJHVTXEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.3
TPSA
28.2000

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

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