CAS RN: 4420-74-0

(3-Mercaptopropyl)trimethoxysilane

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Batchno.20260225 100g In stock Inquiry
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Batchno.20260104 500g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
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  • Product code: ICTM0928
  • Purity/Analytical Methods: >96.0%(GC)
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4420-74-0 / 3-trimethoxysilylpropane-1-thiol

Standard CAS: 4420-74-0 Multi CAS: Yes

Basic Information

CAS
4420-74-0
Multi CAS
Yes
Molecular Formula
C6H16O3SSi
Molecular Weight
196.340000
Exact Mass
196.058942
InChI
InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKey
UUEWCQRISZBELL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid with a stench
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.06
TPSA
27.69

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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