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CAS 693-97-0 5-Methyl-isothiazole molecular structure lightbox
CAS RN: 693-97-0

5-Methyl-isothiazole

  • Product code: SSC-178935
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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: 0.25g
  • 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 693-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

693-97-0 / 5-methyl-1,2-thiazole

Standard CAS: 693-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
693-97-0
Multi CAS
No
Molecular Formula
C4H5NS
Molecular Weight
99.160000
Exact Mass
99.014270
InChI
InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey
LBBKWEDRPDGXPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
26.85
TPSA
12.89

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-2.29

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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