CAS RN: 29635-81-2
(S)-5-(1-methylethyl)-3-phenyl-2-thioxoimidazolidin-4-one
- Product code: SSC-132659
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: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
29635-81-2 / (5S)-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Basic Information
CAS
29635-81-2
Multi CAS
Yes
Molecular Formula
C12H14N2OS
Molecular Weight
234.320000
Exact Mass
234.082684
InChI
InChI=1S/C12H14N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)/t10-/m0/s1
InChIKey
HEIKHJHSVLQGGN-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.29
TPSA
32.34
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.7
Consensus LogP
2.11
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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