CAS RN: 335209-06-8
N-(3-methyl-2-pyridinyl)-N’-(2-thienylcarbonyl)thiourea
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.20260621 | 5mg / 10mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS335209-06-8
- Purity/Analytical Methods: >99.0%
335209-06-8 / N-[(3-methyl-2-pyridinyl)carbamothioyl]thiophene-2-carboxamide
Basic Information
CAS
335209-06-8
Multi CAS
No
Molecular Formula
C12H11N3OS2
Molecular Weight
277.400000
Exact Mass
277.034354
InChI
InChI=1S/C12H11N3OS2/c1-8-4-2-6-13-10(8)14-12(17)15-11(16)9-5-3-7-18-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey
NCBSEFLBPQTPAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.98
TPSA
54.02
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
3.2
Consensus LogP
2.69
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 335215-56-0 4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
- CAS RN: 335215-56-0
- Product Code: starshine_CAS335215-56-0
- Purity/Analytical method: >99.0%
-
4,4,5,5-Tetramethyl-2-(2′-methyl-biphenyl-4-yl)-[1,3,2]dioxaborolane
- CAS RN: 335233-26-6
- Product Code: SSC-139638
-
(R)-1-(4-Phenyl-1H-iMidazol-2-yl)ethanaMine
- CAS RN: 335246-81-6
- Product Code: starshine_CAS335246-81-6
- Purity/Analytical method: >99.0%
-
-
4-Fluoro-2-(methoxymethoxy)phenylboronic acid
- CAS RN: 335254-87-0
- Product Code: starshine_CAS335254-87-0
- Purity/Analytical method: >99.0%
-
CarbaMic acid, N-[2-aMino-4-(2-thienyl)phenyl]-, 1,1-diMethylethyl ester
- CAS RN: 335255-43-1
- Product Code: SSC-139644
![CAS 335215-56-0 4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/335215-56-0.gif)
![CAS 335233-26-6 4,4,5,5-Tetramethyl-2-(2′-methyl-biphenyl-4-yl)-[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/335233-26-6.gif)
![CAS 335255-43-1 CarbaMic acid, N-[2-aMino-4-(2-thienyl)phenyl]-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/335255-43-1.gif)