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CAS 1065678-31-0 5–fluoro-2(3H)-benzothiazolone molecular structure lightbox
CAS RN: 1065678-31-0

5–fluoro-2(3H)-benzothiazolone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008196
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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: 1g
  • 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 1065678-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1065678-31-0 / 5-fluoro-3H-1,3-benzothiazol-2-one

5-fluoro-2,3-dihydro-1,3-benzothiazol-2-one | RefChem:535727 | 959-017-5

Standard CAS: 1065678-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1065678-31-0
Multi CAS
No
Molecular Formula
C7H4FNOS
Molecular Weight
169.180000
Exact Mass
168.999763
SMILES
C1=CC2=C(C=C1F)NC(=O)S2
InChI
InChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
ZXZUZJTXCUZSPM-UHFFFAOYSA-N
Synonyms
5-fluoro-2,3-dihydro-1,3-benzothiazol-2-one RefChem:535727 959-017-5 5-Fluorobenzo[d]thiazol-2(3H)-one 5-fluoro-3H-1,3-benzothiazol-2-one

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.4
TPSA
32.86

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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