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CAS 1211-32-1 Benzothiazole, 2-(3-methylphenyl)- (9CI) molecular structure lightbox
CAS RN: 1211-32-1

Benzothiazole, 2-(3-methylphenyl)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1211-32-1
  • Purity/Analytical Methods: >99.0%
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1211-32-1 / 2-(3-methylphenyl)-1,3-benzothiazole

2-(3-methylphenyl)-1,3-benzothiazole | 2-(m-Tolyl)benzo[d]thiazole | Benzothiazole, 2-(3-methylphenyl)- (9CI)

Standard CAS: 1211-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211-32-1
Multi CAS
No
Molecular Formula
C14H11NS
Molecular Weight
225.310000
Exact Mass
225.061221
SMILES
CC1=CC(=CC=C1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NS/c1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3
InChIKey
WPKWWUOUYBJTGE-UHFFFAOYSA-N
Synonyms
2-(3-methylphenyl)-1,3-benzothiazole 2-(m-Tolyl)benzo[d]thiazole Benzothiazole, 2-(3-methylphenyl)- (9CI) 2-(3-methylphenyl)benzothiazole 2-(m-tolyl)-1,3-benzothiazole

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.79
TPSA
12.89

LogP / Solubility

WLOGP
4.27
MLOGP
3.76
XLogP3
4.6
Consensus LogP
4.21
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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