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CAS 72955-86-3 2-[2-(Methylthio)phenoxy]ethylamine molecular structure lightbox
CAS RN: 72955-86-3

2-[2-(Methylthio)phenoxy]ethylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-182410
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 10
  • 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 72955-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g -- 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

72955-86-3 / 2-(2-methylsulfanylphenoxy)ethanamine

Standard CAS: 72955-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72955-86-3
Multi CAS
No
Molecular Formula
C9H13NOS
Molecular Weight
183.270000
Exact Mass
183.071785
InChI
InChI=1S/C9H13NOS/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
IKIYPTDCNNXUJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.77
TPSA
35.25

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.6

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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