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CAS 1191-62-4 1,8-Octanedithiol molecular structure lightbox
CAS RN: 1191-62-4

1,8-Octanedithiol

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250420 100g In stock Shanghai Inquiry
Batchno.20260307 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250523 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20260221 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260609 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-019574
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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: ≥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 1191-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1191-62-4 / octane-1,8-dithiol

1,8-OCTANEDITHIOL | Octane-1,8-dithiol | 1,8-Dimercaptooctane

Standard CAS: 1191-62-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1191-62-4
Multi CAS
No
Molecular Formula
C8H18S2
Molecular Weight
178.400000
Exact Mass
178.084993
SMILES
C(CCCCS)CCCS
InChI
InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKey
PGTWZHXOSWQKCY-UHFFFAOYSA-N
Synonyms
1,8-OCTANEDITHIOL Octane-1,8-dithiol 1,8-Dimercaptooctane Octamethylene dimercaptan 1,8-Octamethylenedithiol

Physical Properties

Melting Point
0.9 °C
Boiling Point
142.00 °C. @ 30.00 mm Hg
Density
0.962 (d20/4)
Physical Description
Liquid with odor of "stench"; Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.41
TPSA
2.0000

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-1.55

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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