基本信息
- 标准SMILES
Cc1cccc(NC(=S)N/N=C/c2ccco2)c1- InChIKey
KXLGFSQJDTYOEJ-UHFFFAOYSA-N- 分子式
- C13H13N3OS
- 平均分子量
- 259.33 g/mol
名称与标识
- 首选名称
- 2-Furaldehyde N-(3-methylphenyl)thiosemicarbazone
- IUPAC
- 1-[(E)-furan-2-ylmethylideneamino]-3-(3-methylphenyl)thiourea
- 英文名
- 2-furaldehyde N-(3-methylphenyl)thiosemicarbazone
- 分子式
- C13H13N3OS
- 分子量
- 259.33
名称与别名
2-furaldehyde N-(3-methylphenyl)thiosemicarbazone324055-33-6RefChem:472726669-677-31-[(E)-furan-2-ylmethylideneamino]-3-(3-methylphenyl)thioureaSTK037166AKOS000483281ST035762AN-329/40195766(2E)-2-(furan-2-ylmethylidene)-N-(3-methylphenyl)hydrazinecarbothioamide[((1E)-2-(2-furyl)-1-azavinyl)amino][(3-methylphenyl)amino]methane-1-thione5269-81-8
展开更多名称
Hydrazinecarbothioamide, 2-(2-furanylmethylene)-N-(3-methylphenyl)-
数据库标识
- CAS
324055-33-6- PubChem CID
- 5338339
- EC Number
- 669-677-3
性质
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 81.7 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 309
物理化学性质
- 沸点
- 381.9 · 381.9±44.0 °C(Predicted)
- 密度
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 酸度系数(pKa)
- 10.58 · 10.58±0.70(Predicted)
安全与法规
GHS分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
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.
危害信息
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学与工业
供应商4 家
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
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