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CAS 57774-79-5 4-Ethoxybenzenecarbothioamide molecular structure lightbox
CAS RN: 57774-79-5

4-Ethoxybenzenecarbothioamide

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250718 1g In stock Inquiry
Batchno.20251115 250mg Out of stock Inquiry
Batchno.20251229 50mg In stock Inquiry
  • Product code: SSC-165954
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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: ＞97%
  • 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 57774-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

57774-79-5 / 4-ethoxybenzenecarbothioamide

Standard CAS: 57774-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57774-79-5
Multi CAS
No
Molecular Formula
C9H11NOS
Molecular Weight
181.260000
Exact Mass
181.056135
InChI
InChI=1S/C9H11NOS/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6H,2H2,1H3,(H2,10,12)
InChIKey
AREJPGXIKMXBIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.5
TPSA
35.25

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.9
Consensus LogP
1.71
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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