CAS RN: 53515-19-8
2-METHYL-THIOBENZAMIDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS53515-19-8
- Purity/Analytical Methods: >99.0%
53515-19-8 / 2-methylbenzenecarbothioamide
Basic Information
CAS
53515-19-8
Multi CAS
Yes
Molecular Formula
C8H9NS
Molecular Weight
151.230000
Exact Mass
151.045570
InChI
InChI=1S/C8H9NS/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
DEFUMLHLEJNWIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.07
TPSA
26.02
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
NAPHTHO[2,1-B]FURAN-2-CARBOHYDRAZIDE
- CAS RN: 53524-88-2
- Product Code: starshine_CAS53524-88-2
- Purity/Analytical method: >99.0%
-
5H,10H-DIIMIDAZO[1,5-A:1′, 5′-D] PYRAZINE-5,10-DIONE
- CAS RN: 53525-65-8
- Product Code: SSC-160884
![CAS 53524-88-2 NAPHTHO[2,1-B]FURAN-2-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53524-88-2.gif)
![CAS 53525-65-8 5H,10H-DIIMIDAZO[1,5-A:1′, 5′-D] PYRAZINE-5,10-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53525-65-8.gif)