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CAS 108768-19-0 1-(Thiophen-2-yl)piperazine molecular structure lightbox
CAS RN: 108768-19-0

1-(Thiophen-2-yl)piperazine

  • Product code: SSC-010027
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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: 1g
  • Available purity: ≥95%
  • 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 108768-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

108768-19-0 / 1-thiophen-2-ylpiperazine

1-(Thiophen-2-yl)piperazine | DTXSID90620635 | RefChem:227166

Standard CAS: 108768-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108768-19-0
Multi CAS
No
Molecular Formula
C8H12N2S
Molecular Weight
168.260000
Exact Mass
168.072120
SMILES
C1CN(CCN1)C2=CC=CS2
InChI
InChI=1S/C8H12N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2
InChIKey
ANGVDUJFWRWPCE-UHFFFAOYSA-N
Synonyms
1-(Thiophen-2-yl)piperazine DTXSID90620635 RefChem:227166 DTXCID80571389 1-thiophen-2-ylpiperazine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.4
TPSA
15.27

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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