3-methylbenzothiazol-2(3H)-one hydrazone

HCID 14319CAS 1128-67-2

基本情報

標準SMILES: Cn1c(=NN)sc2ccccc21
InChIKey: PHOLIFLKGONSGY-UHFFFAOYSA-N
分子式: C8H9N3S
平均分子量: 179.24 g/mol
単同位体質量: 179.05171829

名称と識別子

優先名称: 3-methylbenzothiazol-2(3H)-one hydrazone
IUPAC: (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine

名称と別名

3-Methylbenzothiazol-2(3H)-one hydrazoneRefChem:5041451128-67-2(3-methyl-1,3-benzothiazol-2-ylidene)hydrazineSawicki reagent2-hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazoleEINECS 214-440-83-methyl-1,3-benzothiazol-2-one hydrazone3-Methyl-2-benzothiazolone, hydrazoneBRN 0149612(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazineNCIOpen2_003147

名称をさらに表示

4-27-00-02695 (Beilstein Handbook Reference)SCHEMBL566154(2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride(2Z)-2-hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazoleDTXSID4061541SCHEMBL294274843-methylbenzothiazolin-2-one hydrazoneAKOS030229029

データベース識別子

CAS: 1128-67-2
PubChem CID: 14319
DTXSID: DTXSID4061541
EC Number: 214-440-8

物性

構造計算による物性

XLogP: 1.9
極性表面積: 66.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 204

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学と産業

用途と製造

General Manufacturing Information2(3H)-Benzothiazolone, 3-methyl-, hydrazone: ACTIVE