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CAS 59-52-9 2,3-Dimercapto-1-propanol molecular structure lightbox
CAS RN: 59-52-9

2,3-Dimercapto-1-propanol

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 1g In stock Inquiry
Batchno.20250321 25g In stock Inquiry
Batchno.20250610 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: SSC-167353
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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 59-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

59-52-9 / 2,3-bis(sulfanyl)propan-1-ol

Standard CAS: 59-52-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59-52-9
Multi CAS
Yes
Molecular Formula
C3H8OS2
Molecular Weight
124.230000
Exact Mass
124.001657
InChI
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
WQABCVAJNWAXTE-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C 77 °C
Boiling Point
248 °F at 15 mmHg (NTP, 1992) BP: 68-69 °C at 0.0001 mm Hg; 83 °C at 0.8 mm Hg BP: 120 °C at 15 mm Hg
Density
1.2463 at 68 °F (NTP, 1992) - Denser than water; will sink 1.2385 at 25 °C/4 °C
Physical Description
2,3-dimercapto-1-propanol is a clear colorless viscous liquid with a pungent offensive odor of mercaptans. Used as a medicine and an antidote to the chemical warfare agent LEWISITE. Clear to slightly yellow liquid with a pungent odor; [HSDB] Viscous oily liquid; [Merck Index] Strong, offensive odor; Solid
Appearance
Viscous oily liquid Colorless
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.71
TPSA
20.23

LogP / Solubility

WLOGP
0.21
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-3.33

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

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