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CAS 15945-75-2 2-CHLORO-5-METHYLSULFANYL-PHENYLAMINE molecular structure lightbox
CAS RN: 15945-75-2

2-CHLORO-5-METHYLSULFANYL-PHENYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15945-75-2
  • Purity/Analytical Methods: >99.0%
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15945-75-2 / 2-chloro-5-methylsulfanylaniline

Standard CAS: 15945-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15945-75-2
Multi CAS
No
Molecular Formula
C7H8ClNS
Molecular Weight
173.660000
Exact Mass
173.006598
SMILES
CSC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClNS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
PUQFMQYZZXOHPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.65
TPSA
26.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.9

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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