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结构：NC(=S)Nc1ccc(C(=O)O)cc1
HCID736216

4-Thioureidobenzoic acid

4-(carbamothioylamino)benzoic acid

C8H8N2O2S196.23 g/molCAS 7366-56-5
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IDENTITY

结构与身份

标准 SMILES
NC(=S)Nc1ccc(C(=O)O)cc1
InChIKey
FOYDMXZTPAEILY-UHFFFAOYSA-N
分子式
C8H8N2O2S
平均分子量
196.23 g/mol
单同位素质量
196.03064868

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
107 Ų
氢键供体
3
氢键受体
3
可旋转键
2
重原子
13
形式电荷
0
复杂度
212

GHS

GHS 分类

来源：PubChem
GHS Classification

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 3 (88.6%)；Skin Irrit. 2 (11.4%)；Skin Sens. 1 (88.6%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

ALIASES

名称与别名

共 47 条
4-Thioureidobenzoic acid7366-56-54-(2-Thioureido)benzoic acid4-carboxyphenylthiourea4-[(Aminothioxomethyl)amino]benzoic acidHHU9SXZ44Xn-(4-carboxyphenyl)thioureaEINECS 230-910-5NSC-49255Benzoic acid, 4-[(aminothioxomethyl)amino]-(P-CARBOXYPHENYL)THIOUREADTXSID40223872NSC 492554-((AMINOTHIOXOMETHYL)AMINO)BENZOIC ACIDBENZOIC ACID, 4-((AMINOTHIOXOMETHYL)AMINO)-RefChem:527019DTXCID70146363230-910-54-(carbamothioylamino)benzoic acid1-(4-carboxyphenyl)-2-thiourea

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂