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CAS 183304-68-9 1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)- (9CI) molecular structure lightbox
CAS RN: 183304-68-9

1,2,3-Thiadiazole-5-carboxylic acid, 4-(hydroxymethyl)- (9CI)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 100mg In stock Shanghai Inquiry
Batchno.20250718 1g In stock Shanghai Inquiry
Batchno.20260622 250mg In stock Shanghai Inquiry
  • Product code: SSC-084817
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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 183304-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

183304-68-9 / 4-(hydroxymethyl)thiadiazole-5-carboxylic acid

Standard CAS: 183304-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183304-68-9
Multi CAS
No
Molecular Formula
C4H4N2O3S
Molecular Weight
160.150000
Exact Mass
159.994263
SMILES
C(C1=C(SN=N1)C(=O)O)O
InChI
InChI=1S/C4H4N2O3S/c7-1-2-3(4(8)9)10-6-5-2/h7H,1H2,(H,8,9)
InChIKey
SOLVBZNIJYRMPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
32.79
TPSA
83.31

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.6
Consensus LogP
-0.37
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.89

Drug-likeness / Medicinal Chemistry

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

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