HCID254568

7-Thia-2,4,5-triazatricyclo(6.4.0.0,2,6)dodeca-1(12),3,5,8,10-pentaene

[1,2,4]triazolo[3,4-b][1,3]benzothiazole

C8H5N3S175.21 g/molCAS 247-92-7

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IDENTITY

结构与身份

标准SMILES: c1ccc2c(c1)sc1nncn12
InChIKey: BGFURDBGMRKOTL-UHFFFAOYSA-N
分子式: C8H5N3S
平均分子量: 175.21 g/mol
单同位素质量: 175.02041835

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 58.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 187

GHS

GHS分类

GHS Classification

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 35 条

7-Thia-2,4,5-triazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene7-Thia-2,4,5-triazatricyclo(6.4.0.0,2,6)dodeca-1(12),3,5,8,10-pentaeneRefChem:547065874-491-2247-92-71,2,4-Triazolo[3,4-b]benzothiazole[1,2,4]Triazolo[3,4-b][1,3]benzothiazole1,2,4-Triazolo[3,4-b]benzothiazole (9CI)CHEMBL5396332s-triazolo(3,4-b)benzothiazoles-triazolo[3,4-b]benzothiazole7-Thia-2,4,5-triazatricyclo[6.4.0.0,2,6]dodeca-1(8),3,5,9,11-pentaene7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene4-hydro-1,2,4-triazolo[3,4-b]benzothiazoleNSC79001SCHEMBL2489012SCHEMBL4931952SCHEMBL31248569BGFURDBGMRKOTL-UHFFFAOYSA-DTXSID50947638

REACTIONS