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CAS 105685-06-1 1-(1-BENZOTHIOPHEN-7-YL)PIPERAZINE molecular structure lightbox
CAS RN: 105685-06-1

1-(1-BENZOTHIOPHEN-7-YL)PIPERAZINE

  • Product code: SSC-007401
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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: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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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 105685-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Beijing Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

105685-06-1 / 1-(1-benzothiophen-7-yl)piperazine

1-(Benzo[b]thiophen-7-yl)piperazine | 1-(Benzo(b)thiophen-7-yl)piperazine | RefChem:427087

Standard CAS: 105685-06-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105685-06-1
Multi CAS
No
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
SMILES
C1CN(CCN1)C2=CC=CC3=C2SC=C3
InChI
InChI=1S/C12H14N2S/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKey
KAIYEAVSYUNYRS-UHFFFAOYSA-N
Synonyms
1-(Benzo[b]thiophen-7-yl)piperazine 1-(Benzo(b)thiophen-7-yl)piperazine RefChem:427087 958-863-2 Piperazine, 1-benzo[b]thien-7-yl-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.91
TPSA
15.27

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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