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CAS 38401-38-6 ((S-methylsulfonimidoyl)methyl)benzene(WXC08966) molecular structure lightbox
CAS RN: 38401-38-6

((S-methylsulfonimidoyl)methyl)benzene(WXC08966)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS38401-38-6
  • Purity/Analytical Methods: >99.0%
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38401-38-6 / benzyl-imino-methyl-oxo-lambda6-sulfane

Standard CAS: 38401-38-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38401-38-6
Multi CAS
No
Molecular Formula
C8H11NOS
Molecular Weight
169.250000
Exact Mass
169.056135
InChI
InChI=1S/C8H11NOS/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
JXKMYUBHKRRYKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.93
TPSA
40.92

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
2.1
Consensus LogP
1.87
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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