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CAS 24316-85-6 5-AMino-benzooxazole-2-thiol molecular structure lightbox
CAS RN: 24316-85-6

5-AMino-benzooxazole-2-thiol

  • Product code: SSC-118505
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 24316-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

24316-85-6 / 5-amino-3H-1,3-benzoxazole-2-thione

Standard CAS: 24316-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24316-85-6
Multi CAS
No
Molecular Formula
C7H6N2OS
Molecular Weight
166.200000
Exact Mass
166.020084
SMILES
C1=CC2=C(C=C1N)NC(=S)O2
InChI
InChI=1S/C7H6N2OS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,8H2,(H,9,11)
InChIKey
FGCBXPQTMIARGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.81
TPSA
54.95

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.1
Consensus LogP
1.66
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

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

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