[email protected]
CAS 18794-77-9 2-Hexylthiophene molecular structure lightbox
CAS RN: 18794-77-9

2-Hexylthiophene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-087381
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18794-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 4 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

18794-77-9 / 2-hexylthiophene

Standard CAS: 18794-77-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18794-77-9
Multi CAS
No
Molecular Formula
C10H16S
Molecular Weight
168.300000
Exact Mass
168.097272
SMILES
CCCCCCC1=CC=CS1
InChI
InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
InChIKey
QZVHYFUVMQIGGM-UHFFFAOYSA-N

Physical Properties

Melting Point
41.00 °C. @ 760.00 mm Hg
Boiling Point
229.00 to 230.00 °C. @ 760.00 mm Hg
Density
0.930-0.938 (20°)
Physical Description
Colourless to pale yellow liquid; Meat-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
52.17
TPSA
28.2000

LogP / Solubility

WLOGP
3.87
MLOGP
3.4
XLogP3
4.4
Consensus LogP
3.89
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
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)
-1

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 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (> 99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us