CAS RN: 13816-04-1
2-ISOPROPENYLTHIAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13816-04-1
- Purity/Analytical Methods: >99.0%
13816-04-1 / 2-prop-1-en-2-yl-1,3-thiazole
Basic Information
CAS
13816-04-1
Multi CAS
No
Molecular Formula
C6H7NS
Molecular Weight
125.190000
Exact Mass
125.029920
SMILES
CC(=C)C1=NC=CS1
InChI
InChI=1S/C6H7NS/c1-5(2)6-7-3-4-8-6/h3-4H,1H2,2H3
InChIKey
UDPXHYZDXKTGLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.82
TPSA
12.89
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(thiazol-2-yl)thiazole
- CAS RN: 13816-21-2
- Product Code: starshine_CAS13816-21-2
- Purity/Analytical method: >99.0%
-
-
[4-(4-phosphonophenyl)phenyl]phosphonic acid
- CAS RN: 13817-79-3
- Product Code: starshine_CAS13817-79-3
- Purity/Analytical method: >99.0%
-
GADOLINIUM BROMIDE
- CAS RN: 13818-75-2
- Product Code: starshine_CAS13818-75-2
- Purity/Analytical method: >99.0%
-
-
![CAS 13817-79-3 [4-(4-phosphonophenyl)phenyl]phosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13817-79-3.gif)
