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CAS 5332-52-5 1-Undecanethiol molecular structure lightbox
CAS RN: 5332-52-5

1-Undecanethiol

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 1ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260315 25ml In stock Shanghai Inquiry
Batchno.20250624 5ml In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250427 10g In stock Shanghai Inquiry
Batchno.20250923 1g In stock Shanghai Inquiry
Batchno.20250930 5g In stock Shanghai Inquiry
  • Product code: ICTU0066
  • Purity/Analytical Methods: >96.0%(GC)
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5332-52-5 / undecane-1-thiol

Standard CAS: 5332-52-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5332-52-5
Multi CAS
No
Molecular Formula
C11H24S
Molecular Weight
188.380000
Exact Mass
188.159872
InChI
InChI=1S/C11H24S/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey
CCIDWXHLGNEQSL-UHFFFAOYSA-N

Physical Properties

Melting Point
27 °F (NIOSH, 2024) -3 °C 27 °F
Boiling Point
495 °F at 760 mmHg (NIOSH, 2024) 257-259 °C 495 °F
Density
0.84 (NIOSH, 2024) - Less dense than water; will float Relative density (water = 1): 0.84 0.84
Physical Description
1-undecanethiol is a liquid with a bad smell. Mp: -3 °C; bp: 259.5 °C. Density: 0.841 g cm-3 at 25 °C. Liquid; [NIOSH] LIQUID WITH CHARACTERISTIC ODOUR. Liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.08
TPSA
1.0000

LogP / Solubility

WLOGP
4.45
MLOGP
3.91
XLogP3
5.6
Consensus LogP
4.65
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.71

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
1.5

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