CAS RN: 70326-37-3
3-Benzoylthiazolidine-2-thione
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTB3571
- Purity/Analytical Methods: >98.0%(GC)
70326-37-3 / phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
Basic Information
CAS
70326-37-3
Multi CAS
No
Molecular Formula
C10H9NOS2
Molecular Weight
223.300000
Exact Mass
223.012556
InChI
InChI=1S/C10H9NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-5H,6-7H2
InChIKey
NWKQMWLTQNBOHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.53
TPSA
20.31
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.5
Consensus LogP
2.19
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.55
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
-
-
-
-
4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione
- CAS RN: 132765-35-6
- Product Code: SSC-039548
-
-
