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CAS 17891-55-3 TRIS(ISOPROPYLTHIO)SILANE molecular structure lightbox
CAS RN: 17891-55-3

TRIS(ISOPROPYLTHIO)SILANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17891-55-3
  • Purity/Analytical Methods: >99.0%
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17891-55-3 / TRIS(ISOPROPYLTHIO)SILANE

Standard CAS: 17891-55-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17891-55-3
Multi CAS
No
Molecular Formula
C9H21S3Si
Molecular Weight
253.600000
Exact Mass
253.057466
SMILES
CC(C)S[Si](SC(C)C)SC(C)C
InChI
InChI=1S/C9H21S3Si/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKey
JSNFPRDBBIFLRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
73.94
TPSA
75.9000

LogP / Solubility

WLOGP
4.4
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.22
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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