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CAS 58909-39-0 Thiotriazinone molecular structure lightbox
CAS RN: 58909-39-0

Thiotriazinone

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100g In stock Tianjin Inquiry
Batchno.20250411 1g In stock Shanghai Inquiry
Batchno.20250109 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251031 25g In stock Chengdu Inquiry
Batchno.20250411 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251014 5g Out of stock Inquiry
  • Product code: SSC-167277
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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: 100g
  • 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 58909-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

58909-39-0 / 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione

Standard CAS: 58909-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58909-39-0
Multi CAS
Yes
Molecular Formula
C4H5N3O2S
Molecular Weight
159.170000
Exact Mass
159.010248
InChI
InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
InChIKey
UMWWHOXOVPIGFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.49
TPSA
70.65

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.77
XLogP3
-0.4
Consensus LogP
-0.68
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.31

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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