CAS RN: 23288-92-8
5-(2,4-DICHLOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS23288-92-8
- Purity/Analytical Methods: >99.0%
23288-92-8 / 5-(2,4-dichlorophenyl)-3H-1,3,4-oxadiazole-2-thione
Basic Information
CAS
23288-92-8
Multi CAS
No
Molecular Formula
C8H4Cl2N2OS
Molecular Weight
247.100000
Exact Mass
245.942139
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NNC(=S)O2
InChI
InChI=1S/C8H4Cl2N2OS/c9-4-1-2-5(6(10)3-4)7-11-12-8(14)13-7/h1-3H,(H,12,14)
InChIKey
KDACHYNPZYGPON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.14
TPSA
41.82
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.3
Consensus LogP
3.43
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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
1.5
Customers Also Viewed
-
-
DELTA7-AVENASTEROL
- CAS RN: 23290-26-8
- Product Code: starshine_CAS23290-26-8
- Purity/Analytical method: >99.0%
-
-
1H-Benzimidazole,2,4-dimethyl-(9CI)
- CAS RN: 23291-66-9
- Product Code: starshine_CAS23291-66-9
- Purity/Analytical method: >99.0%
-
5-(2-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- CAS RN: 23292-16-2
- Product Code: SSC-112999
-
BN-2629
- CAS RN: 232931-57-6
- Product Code: starshine_CAS232931-57-6
- Purity/Analytical method: >99.0%
