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CAS 104-06-3 Thiacetazone molecular structure lightbox
CAS RN: 104-06-3

Thiacetazone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 1g In stock Shanghai, Guangdong Inquiry
Batchno.20260525 200mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260608 5g In stock Shanghai Inquiry
  • Product code: SSC-005711
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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: ≥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 104-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

104-06-3 / N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide

RefChem:1069040 | 4'-Formylacetanilide Thiosemicarbazone | Thiosemicarbazone

Standard CAS: 104-06-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104-06-3
Multi CAS
Yes
Molecular Formula
C10H12N4OS
Molecular Weight
236.300000
Exact Mass
236.073182
SMILES
CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N
InChI
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)
InChIKey
SRVJKTDHMYAMHA-UHFFFAOYSA-N
Synonyms
RefChem:1069040 4'-Formylacetanilide Thiosemicarbazone Thiosemicarbazone MFCD00022157 Mirizone neustab

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
68.26
TPSA
79.51

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
1
Consensus LogP
0.84
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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