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Product details

名称

2,1,3-苯并噻二唑

分子类型

小分子

别名

苯并噻二唑 | 苯并-2,1,3-噻重氮

英文别名

SB36322 | Piazthiole (VAN) | SCHEMBL17948244 | SY015401 | NSC 43636 | W-107119 | benzo[1 | 2-Thia-1, 3-diaza-2H-isoindene | EN300-17142 | HMS1782J14 | B0921 | Benzo[1,2,5]thiadiazole | AKOS001040879 | InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4 | AC-8841

英文名称

2,1,3-Benzothiadiazole

货号

B120063-500g

包装规格

500g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

敏感性

对空气敏感

CAS号

273-13-2

分子式

C6H4N2S

分子量

136.17 g/mol

Beilstein号

112408

EC号

205-985-2

MDL号

MFCD00005809

PubChem编号

67502

Isomeric SMILES

C1=CC2=NSN=C2C=C1

IIUPAC Name

2,1,3-benzothiadiazole

INCHI

1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

InChi Key

PDQRQJVPEFGVRK-UHFFFAOYSA-N

Smiles

C1=CC2=NSN=C2C=C1

PubChem SID

504754164

溶解性

Solubility in methanol almost transparent.

熔点

43-47°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

136.01 Da

单同位素质量Monoisotopic Mass

136.01 Da

拓扑极表面积Topological Polar Surface Area

54.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

95.200

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.000

密度

1.3683

闪点(℃)

95°(203°F)

沸点

64°C/1.5mmHg

Reaxy-Rn

112408

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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