CAS RN: 141-84-4
Rhodanine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260403 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260525 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-051509
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
141-84-4 / 2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
141-84-4
Multi CAS
No
Molecular Formula
C3H3NOS2
Molecular Weight
133.200000
Exact Mass
132.965606
SMILES
C1C(=O)NC(=S)S1
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
Storage Conditions
STORAGE PRECAUTIONS: Store in a refrigerator or in a cool, dry place. Protect from air for long term storage. (NTP, 1992)
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (89.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
