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CAS 87123-08-8 METHYL 2-MERCAPTO-2-METHYL PROPIONATE molecular structure lightbox
CAS RN: 87123-08-8

METHYL 2-MERCAPTO-2-METHYL PROPIONATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-196692
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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 87123-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

87123-08-8 / methyl 2-methyl-2-sulfanylpropanoate

Standard CAS: 87123-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87123-08-8
Multi CAS
No
Molecular Formula
C5H10O2S
Molecular Weight
134.200000
Exact Mass
134.040151
InChI
InChI=1S/C5H10O2S/c1-5(2,8)4(6)7-3/h8H,1-3H3
InChIKey
VLBKKPXFGMZCOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.08
TPSA
26.3

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.92

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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