[email protected]
CAS 23945-50-8 2-THIOURACIL-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 23945-50-8

2-THIOURACIL-5-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-116885
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 23945-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

23945-50-8 / 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Standard CAS: 23945-50-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23945-50-8
Multi CAS
No
Molecular Formula
C5H4N2O3S
Molecular Weight
172.160000
Exact Mass
171.994263
SMILES
C1=C(C(=O)NC(=S)N1)C(=O)O
InChI
InChI=1S/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey
XKHWTDCFQVKNHW-UHFFFAOYSA-N

Physical Properties

Physical Description
Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.21
TPSA
85.95

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.1
Consensus LogP
0.05
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
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)
-3.68

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

Customers Also Viewed

Get In Touch

Contact Us