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CAS 7205-94-9 CHLOROMETHYL PHENYL SULFOXIDE molecular structure lightbox
CAS RN: 7205-94-9

CHLOROMETHYL PHENYL SULFOXIDE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260610 1g In stock Shanghai Inquiry
Batchno.20250616 250mg In stock Shanghai Inquiry
Batchno.20250505 5g Out of stock Inquiry
  • Product code: starshine_CAS7205-94-9
  • Purity/Analytical Methods: >99.0%
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7205-94-9 / chloromethylsulfinylbenzene

Standard CAS: 7205-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7205-94-9
Multi CAS
Yes
Molecular Formula
C7H7CLOS
Molecular Weight
174.650000
Exact Mass
173.990614
InChI
InChI=1S/C7H7ClOS/c8-6-10(9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
WCUSVVDFUIMPKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
43.57
TPSA
17.07

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.37

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
2

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