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CAS 363179-63-9 N-(3,5-DICHLOROPHENYL)-N-METHYL-THIOCARBAMOYL CHLORIDE molecular structure lightbox
CAS RN: 363179-63-9

N-(3,5-DICHLOROPHENYL)-N-METHYL-THIOCARBAMOYL CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS363179-63-9
  • Purity/Analytical Methods: >99.0%
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363179-63-9 / N-(3,5-dichlorophenyl)-N-methylcarbamothioyl chloride

Standard CAS: 363179-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
363179-63-9
Multi CAS
No
Molecular Formula
C8H6CL3NS
Molecular Weight
254.600000
Exact Mass
252.928653
InChI
InChI=1S/C8H6Cl3NS/c1-12(8(11)13)7-3-5(9)2-6(10)4-7/h2-4H,1H3
InChIKey
AXLAYERKFWXJFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.32
TPSA
3.24

LogP / Solubility

WLOGP
3.95
MLOGP
3.49
XLogP3
4.2
Consensus LogP
3.88
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

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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