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CAS 105314-08-7 5-Benzothiazolecarbonitrile,2-amino-(9CI) molecular structure lightbox
CAS RN: 105314-08-7

5-Benzothiazolecarbonitrile,2-amino-(9CI)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251230 1g In stock Inquiry
Batchno.20250905 250mg In stock Inquiry
Batchno.20250515 50mg In stock Inquiry
  • Product code: SSC-007053
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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: ＞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 105314-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

105314-08-7 / 2-amino-1,3-benzothiazole-5-carbonitrile

2-Aminobenzo[d]thiazole-5-carbonitrile | 2-amino-1,3-benzothiazole-5-carbonitrile | 2-AMINO-5-CYANOBENZOTHIAZOLE

Standard CAS: 105314-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105314-08-7
Multi CAS
Yes
Molecular Formula
C8H5N3S
Molecular Weight
175.210000
Exact Mass
175.020418
SMILES
C1=CC2=C(C=C1C#N)N=C(S2)N
InChI
InChI=1S/C8H5N3S/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,(H2,10,11)
InChIKey
ZYDVWUVIXJDLIV-UHFFFAOYSA-N
Synonyms
2-Aminobenzo[d]thiazole-5-carbonitrile 2-amino-1,3-benzothiazole-5-carbonitrile 2-AMINO-5-CYANOBENZOTHIAZOLE MFCD05664565 5-Benzothiazolecarbonitrile,2-amino-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.75
TPSA
62.7

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.55

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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