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CAS 125791-83-5 4-Mercapto-pentanoic acid molecular structure lightbox
CAS RN: 125791-83-5

4-Mercapto-pentanoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100mg In stock Shanghai Inquiry
Batchno.20250412 1g In stock Shanghai Inquiry
Batchno.20260405 250mg In stock Shanghai Inquiry
  • Product code: SSC-031113
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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 125791-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

125791-83-5 / 4-sulfanylpentanoic acid

Standard CAS: 125791-83-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125791-83-5
Multi CAS
No
Molecular Formula
C5H10O2S
Molecular Weight
134.200000
Exact Mass
134.040151
SMILES
CC(CCC(=O)O)S
InChI
InChI=1S/C5H10O2S/c1-4(8)2-3-5(6)7/h4,8H,2-3H2,1H3,(H,6,7)
InChIKey
NEAFWRKPYYJETG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.32
TPSA
37.3

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.71

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
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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