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CAS 313402-37-8 5-(1,3-BENZOTHIAZOL-2-YL)-2-METHYLANILINE molecular structure lightbox
CAS RN: 313402-37-8

5-(1,3-BENZOTHIAZOL-2-YL)-2-METHYLANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 1g Out of stock 15 business days Inquiry
  • Product code: SSC-136679
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 313402-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

313402-37-8 / 5-(1,3-benzothiazol-2-yl)-2-methylaniline

Standard CAS: 313402-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313402-37-8
Multi CAS
No
Molecular Formula
C14H12N2S
Molecular Weight
240.330000
Exact Mass
240.072120
InChI
InChI=1S/C14H12N2S/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKey
RLYKSASURFRWIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.21
TPSA
38.91

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
3.9
Consensus LogP
3.72
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-1.45

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

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