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Product details

名称

杂环砌块

英文名称

2-Bromo-4-methyl-4H-thieno[2'，3':4，5]pyrrolo[2，3-d]pyridazin-5(6H)-one

货号

B734329-250mg

包装规格

250mg

浓度

≥98%

CAS号

1221186-56-6

分子式

C9H6BrN3OS

分子量

284.13 g/mol

PubChem编号

58386861

Isomeric SMILES

CN1C2=C(C3=C1C(=O)NN=C3)SC(=C2)Br

IIUPAC Name

4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

INCHI

1S/C9H6BrN3OS/c1-13-5-2-6(10)15-8(5)4-3-11-12-9(14)7(4)13/h2-3H,1H3,(H,12,14)

InChi Key

LURUPZWERKCJOR-UHFFFAOYSA-N

Smiles

CN1C2=C(C3=C1C(=O)NN=C3)SC(=C2)Br

PubChem CID

58386861

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

282.942 Da

单同位素质量Monoisotopic Mass

282.942 Da

拓扑极表面积Topological Polar Surface Area

74.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

337.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.900

ALogP

1.9

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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