[email protected]
CAS 17515-00-3 5-tert-butylbenzo[b]thiophene molecular structure lightbox
CAS RN: 17515-00-3

5-tert-butylbenzo[b]thiophene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 100g In stock Shanghai Inquiry
Batchno.20250902 1g In stock Shanghai Inquiry
Batchno.20251214 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260304 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260402 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-076807
GET A QUOTE
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: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 17515-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

17515-00-3 / 5-tert-butyl-1-benzothiophene

Standard CAS: 17515-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17515-00-3
Multi CAS
No
Molecular Formula
C12H14S
Molecular Weight
190.310000
Exact Mass
190.081622
SMILES
CC(C)(C)C1=CC2=C(C=C1)SC=C2
InChI
InChI=1S/C12H14S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-8H,1-3H3
InChIKey
PIEDRQBNWAWCDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
60.53
TPSA
28.2000

LogP / Solubility

WLOGP
4.2
MLOGP
3.69
XLogP3
4.6
Consensus LogP
4.16
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us