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CAS 1175278-16-6 2-BenzothiazolaMine, 4,5-difluoro- molecular structure lightbox
CAS RN: 1175278-16-6

2-BenzothiazolaMine, 4,5-difluoro-

  • Product code: SSC-017387
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 1175278-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1175278-16-6 / 4,5-difluoro-1,3-benzothiazol-2-amine

5,7-Difluorobenzo[d]thiazol-2-amine | 5,7-Difluorobenzo(d)thiazol-2-amine | RefChem:528226

Standard CAS: 1175278-16-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1175278-16-6
Multi CAS
Yes
Molecular Formula
C7H4F2N2S
Molecular Weight
186.180000
Exact Mass
186.006326
SMILES
C1=CC2=C(C(=C1F)F)N=C(S2)N
InChI
InChI=1S/C7H4F2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKey
SNFPJGYGBQVSDJ-UHFFFAOYSA-N
Synonyms
5,7-Difluorobenzo[d]thiazol-2-amine 5,7-Difluorobenzo(d)thiazol-2-amine RefChem:528226 888-541-6 5,7-difluoro-1,3-benzothiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.95
TPSA
38.91

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.32

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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