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CAS 814-67-5 1,2-Propanedithiol molecular structure lightbox
CAS RN: 814-67-5

1,2-Propanedithiol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 1ml / 5ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-189854
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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: 5ml
  • 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 814-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Shenzhen Inquiry

814-67-5 / propane-1,2-dithiol

Standard CAS: 814-67-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
814-67-5
Multi CAS
No
Molecular Formula
C3H8S2
Molecular Weight
108.230000
Exact Mass
108.006743
InChI
InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey
YGKHJWTVMIMEPQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
152.00 °C. @ 760.00 mm Hg
Density
1.075-1.081
Physical Description
clear blue liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.3
TPSA
2.0000

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.2
Consensus LogP
1.17
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.5

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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