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CAS 37535-87-8 2-(Cyclohexylthio)benzenamine molecular structure lightbox
CAS RN: 37535-87-8

2-(Cyclohexylthio)benzenamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37535-87-8
  • Purity/Analytical Methods: >99.0%
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37535-87-8 / 2-cyclohexylsulfanylaniline

Standard CAS: 37535-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37535-87-8
Multi CAS
No
Molecular Formula
C12H17NS
Molecular Weight
207.340000
Exact Mass
207.108171
InChI
InChI=1S/C12H17NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,13H2
InChIKey
YVEZTEFQPWUZOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.58
TPSA
26.02

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.36

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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