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CAS 2079-95-0 1-Tetradecanethiol molecular structure lightbox
CAS RN: 2079-95-0

1-Tetradecanethiol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-097820
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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: 25g
  • 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 2079-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

2079-95-0 / tetradecane-1-thiol

Standard CAS: 2079-95-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2079-95-0
Multi CAS
No
Molecular Formula
C14H30S
Molecular Weight
230.460000
Exact Mass
230.206822
SMILES
CCCCCCCCCCCCCCS
InChI
InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChIKey
GEKDEMKPCKTKEC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; mp = 6.1-6.5 deg C; [CHEMINFO] Clear nearly colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.93
TPSA
1.0000

LogP / Solubility

WLOGP
5.62
MLOGP
4.95
XLogP3
7.2
Consensus LogP
5.92
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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