CAS 14448-67-0 3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE molecular structure

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CAS RN: 14448-67-0

3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260123	250mg / 1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong, Hebei, Guangdong	5-7 business days	Inquiry

Product code: starshine_CAS14448-67-0
Purity/Analytical Methods: >99.0%

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14448-67-0 / (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride

Standard CAS: 14448-67-0 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14448-67-0

Multi CAS

Molecular Formula

C8H10ClN3S

Molecular Weight

215.700000

Exact Mass

215.028396

SMILES

CN1C2=CC=CC=C2SC1=NN.Cl

InChI

InChI=1S/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H

InChIKey

OEZPVSPULCMUQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

H-bond acceptors

H-bond donors

Molar refractivity

57.79

TPSA

43.31

LogP / Solubility

WLOGP

1.44

MLOGP

1.27

XLogP3

1.44

Consensus LogP

1.38

Log S (ESOL)

-2.59

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.37

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

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.02

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Acute Toxic Irritant

Signal

Danger

GHS Hazard Statements

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (91.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

Precautionary Statement Codes

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501