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CAS 31001-77-1 3-Mercaptopropyl(dimethoxy)methylsilane molecular structure lightbox
CAS RN: 31001-77-1

3-Mercaptopropyl(dimethoxy)methylsilane

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100ml In stock Inquiry
Batchno.20250503 25ml In stock Inquiry
Batchno.20250202 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251216 1kg In stock Shanghai Inquiry
Batchno.20260624 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250719 500g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-136209
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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: 100g
  • Available purity: ≥97%
  • 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 31001-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

31001-77-1 / 3-(dimethoxymethylsilyl)propane-1-thiol

Standard CAS: 31001-77-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31001-77-1
Multi CAS
Yes
Molecular Formula
C6H16O2SSi
Molecular Weight
180.340000
Exact Mass
180.064027
InChI
InChI=1S/C6H16O2SSi/c1-7-6(8-2)10-5-3-4-9/h6,9H,3-5,10H2,1-2H3
InChIKey
LOOUJXUUGIUEBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.63
TPSA
18.46

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.49

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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