[email protected]
CAS 59293-67-3 2,4-Dichlorobenzyl Mercaptan molecular structure lightbox
CAS RN: 59293-67-3

2,4-Dichlorobenzyl Mercaptan

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 10g In stock Shanghai Inquiry
Batchno.20250725 1g In stock Shanghai Inquiry
Batchno.20251129 250mg In stock Shanghai Inquiry
Batchno.20251013 25g Out of stock Inquiry
Batchno.20251101 5g In stock Shanghai Inquiry
  • Product code: ICTD2198
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

59293-67-3 / (2,4-dichlorophenyl)methanethiol

Standard CAS: 59293-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59293-67-3
Multi CAS
Yes
Molecular Formula
C7H6CL2S
Molecular Weight
193.090000
Exact Mass
191.956727
InChI
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
ZSPXTTVUJDSRNJ-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
1
H-bond donors
1
Molar refractivity
49.15
TPSA
1.0000

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
3.5
Consensus LogP
3.31
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.47

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

Customers Also Viewed

Get In Touch

Contact Us