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CAS 25276-70-4 1-Pentadecanethiol molecular structure lightbox
CAS RN: 25276-70-4

1-Pentadecanethiol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg In stock Shanghai Inquiry
Batchno.20250516 1g In stock Shanghai Inquiry
Batchno.20250103 250mg In stock Shanghai Inquiry
  • Product code: SSC-121095
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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: 10ml
  • 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 25276-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ≥98% 0 Out of Stock Hong Kong Inquiry

25276-70-4 / pentadecane-1-thiol

Standard CAS: 25276-70-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25276-70-4
Multi CAS
No
Molecular Formula
C15H32S
Molecular Weight
244.500000
Exact Mass
244.222472
SMILES
CCCCCCCCCCCCCCCS
InChI
InChI=1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKey
IGMQODZGDORXEN-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid with a stench
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.55
TPSA
1.0000

LogP / Solubility

WLOGP
6.01
MLOGP
5.29
XLogP3
7.7
Consensus LogP
6.33
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.8
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)
0.05

Drug-likeness / Medicinal Chemistry

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

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