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CAS 765-50-4 2-(Chloromethyl)thiophene molecular structure lightbox
CAS RN: 765-50-4

2-(Chloromethyl)thiophene

  • Product code: SSC-185910
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 765-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

765-50-4 / 2-(chloromethyl)thiophene

Standard CAS: 765-50-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
765-50-4
Multi CAS
Yes
Molecular Formula
C5H5CLS
Molecular Weight
132.610000
Exact Mass
131.980049
InChI
InChI=1S/C5H5ClS/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKey
FUOHKPSBGLXIRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.88
TPSA
28.2000

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-1.76

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

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