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CAS 2373-51-5 Chloromethyl Methyl Sulfide molecular structure lightbox
CAS RN: 2373-51-5

Chloromethyl Methyl Sulfide

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250929 1g In stock Inquiry
Batchno.20251124 25g Out of stock Inquiry
Batchno.20260616 5g Out of stock Inquiry
  • Product code: ICTC0608
  • Purity/Analytical Methods: >97.0%(GC)
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2373-51-5 / chloro(methylsulfanyl)methane

Standard CAS: 2373-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2373-51-5
Multi CAS
No
Molecular Formula
C2H5ClS
Molecular Weight
96.580000
Exact Mass
95.980049
SMILES
CSCCl
InChI
InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3
InChIKey
JWMLCCRPDOIBAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
24.23
TPSA
25.3000

LogP / Solubility

WLOGP
1.55
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-2.21

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

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