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CAS 38605-72-0 1-chloro-9H-thioxanthen-9-one molecular structure lightbox
CAS RN: 38605-72-0

1-chloro-9H-thioxanthen-9-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS38605-72-0
  • Purity/Analytical Methods: >99.0%
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38605-72-0 / 1-chlorothioxanthen-9-one

Standard CAS: 38605-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38605-72-0
Multi CAS
No
Molecular Formula
C13H7CLOS
Molecular Weight
246.710000
Exact Mass
245.990614
InChI
InChI=1S/C13H7ClOS/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H
InChIKey
YNSNJGRCQCDRDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
70.61
TPSA
17.07

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.34

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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