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CAS 201006-49-7 4H-Cyclopentathiazole, 2-chloro-5,6-dihydro- molecular structure lightbox
CAS RN: 201006-49-7

4H-Cyclopentathiazole, 2-chloro-5,6-dihydro-

  • Product code: SSC-094837
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 201006-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

201006-49-7 / 2-chloro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

Standard CAS: 201006-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201006-49-7
Multi CAS
No
Molecular Formula
C6H6ClNS
Molecular Weight
159.640000
Exact Mass
158.990948
SMILES
C1CC2=C(C1)SC(=N2)Cl
InChI
InChI=1S/C6H6ClNS/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2
InChIKey
GDZIRWVWTKMWPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
39.15
TPSA
12.89

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.6
Consensus LogP
2.3
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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