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CAS 2362-63-2 3-METHYL-THIOBENZAMIDE molecular structure lightbox
CAS RN: 2362-63-2

3-METHYL-THIOBENZAMIDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260323 1g In stock Shanghai, Wuhan Inquiry
Batchno.20251207 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250108 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai, Guangdong, Shandong 5-7 business days Inquiry
Batchno.20250413 25g Out of stock Inquiry
Batchno.20250416 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS2362-63-2
  • Purity/Analytical Methods: >99.0%
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2362-63-2 / 3-methylbenzenecarbothioamide

Standard CAS: 2362-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2362-63-2
Multi CAS
No
Molecular Formula
C8H9NS
Molecular Weight
151.230000
Exact Mass
151.045570
SMILES
CC1=CC(=CC=C1)C(=S)N
InChI
InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
NUFFXGAGGYWFAV-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
1.8
Consensus LogP
1.62
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

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