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CAS 4694-92-2 6-AMINO-BENZOOXAZOLE-2-THIOL molecular structure lightbox
CAS RN: 4694-92-2

6-AMINO-BENZOOXAZOLE-2-THIOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-154053
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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: 5g
  • 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 4694-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

4694-92-2 / 6-amino-3H-1,3-benzoxazole-2-thione

Standard CAS: 4694-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4694-92-2
Multi CAS
No
Molecular Formula
C7H6N2OS
Molecular Weight
166.200000
Exact Mass
166.020084
InChI
InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H,9,11)
InChIKey
SARIJQZTDPNQMQ-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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