[email protected]
CAS 1057670-00-4 Thiophene, 2-ethyl-5-ethynyl- molecular structure lightbox
CAS RN: 1057670-00-4

Thiophene, 2-ethyl-5-ethynyl-

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 100mg In stock Shanghai Inquiry
Batchno.20250618 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250526 1g In stock Shanghai Inquiry
Batchno.20250404 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1057670-00-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1057670-00-4 / 2-ethyl-5-ethynylthiophene

2-ETHYL-5-ETHYNYLTHIOPHENE | 2-ethyl-5-ethynyl-thiophene | MFCD08703525

Standard CAS: 1057670-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1057670-00-4
Multi CAS
No
Molecular Formula
C8H8S
Molecular Weight
136.220000
Exact Mass
136.034671
SMILES
CCC1=CC=C(S1)C#C
InChI
InChI=1S/C8H8S/c1-3-7-5-6-8(4-2)9-7/h1,5-6H,4H2,2H3
InChIKey
YGSZGTTVMFZIEZ-UHFFFAOYSA-N
Synonyms
2-ETHYL-5-ETHYNYLTHIOPHENE 2-ethyl-5-ethynyl-thiophene MFCD08703525 Thiophene, 2-ethyl-5-ethynyl- SCHEMBL10279223

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.63
TPSA
28.2000

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

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

Customers Also Viewed

Get In Touch

Contact Us