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CAS 51755-83-0 3-Mercapto-1-hexanol molecular structure lightbox
CAS RN: 51755-83-0

3-Mercapto-1-hexanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-158691
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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: ≥98%
  • 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 51755-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

51755-83-0 / 3-sulfanylhexan-1-ol

Standard CAS: 51755-83-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51755-83-0
Multi CAS
Yes
Molecular Formula
C6H14OS
Molecular Weight
134.240000
Exact Mass
134.076536
InChI
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
InChIKey
TYZFMFVWHZKYSE-UHFFFAOYSA-N

Physical Properties

Boiling Point
198.00 °C. @ 760.00 mm Hg
Density
0.975-0.980
Physical Description
clear liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.38
TPSA
20.23

LogP / Solubility

WLOGP
1.47
MLOGP
1.28
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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
2

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