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CAS 95-16-9 Benzothiazole molecular structure lightbox
CAS RN: 95-16-9

Benzothiazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250831 100g In stock Inquiry
  • Product code: SSC-210180
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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: 25g, 100g, 500g
  • Available purity: >97%
  • 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 95-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

95-16-9 / 1,3-benzothiazole

Standard CAS: 95-16-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
95-16-9
Multi CAS
Yes
Molecular Formula
C7H5NS
Molecular Weight
135.190000
Exact Mass
135.014270
InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey
IOJUPLGTWVMSFF-UHFFFAOYSA-N

Physical Properties

Melting Point
2 °C
Boiling Point
227-228 °C AT 765 MM HG 231.00 to 233.00 °C. @ 760.00 mm Hg
Density
1.246 AT 20 °C/4 °C 1.236-1.240
Physical Description
Liquid Yellow liquid with an unpleasant odor; mp = 2 deg C; [HSDB] Colorless liquid; Clear to amber liquid; quinoline-like, rubbery odour
Appearance
Yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
39.62
TPSA
12.89

LogP / Solubility

WLOGP
2.3
MLOGP
2.01
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-1.91

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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