CAS RN: 6913-23-1
2-Mercapto-5-thiazolidone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTM0263
- Purity/Analytical Methods: >98.0%(T)(HPLC)
6913-23-1 / 2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
6913-23-1
Multi CAS
Yes
Molecular Formula
C3H3NOS2
Molecular Weight
133.200000
Exact Mass
132.965606
InChI
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
KIWUVOGUEXMXSV-UHFFFAOYSA-N
Physical Properties
Melting Point
335.3 °F (NTP, 1992)
168.5 °C (CAPILLARY); 170.5-171 °C (HOT STAGE)
Density
0.868 (NTP, 1992) - Less dense than water; will float
0.868
BULK DENSITY 0.617
Physical Description
Rhodanine appears as light yellow crystals. Density 0.868 g / cm3. Melting point 168.5 °C. May explode on rapid heating.
Pale yellow solid; [Merck Index] Light yellow powder
Appearance
PALE YELLOW CRYSTALS (LONG BLADES) FROM GLACIAL ACETIC ACID OR WATER
LIGHT YELLOW PRISMS FROM ALCOHOL
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.2
TPSA
29.1
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.7
Consensus LogP
0.31
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very 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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
