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Product details

名称

杂环砌块

英文名称

4,8-Bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene

货号

B153045-1g

包装规格

浓度

≥97%

运输条件

常规运输

CAS号

1321590-78-6

分子式

C34H54O2S2

分子量

558.92 g/mol

EC号

PubChem SID: 488202123

PubChem编号

68344520

Isomeric SMILES

CCCCCCC(CCCC)COC1=C2C=CSC2=C(C3=C1SC=C3)OCC(CCCC)CCCCCC

IIUPAC Name

4,8-bis(2-butyloctoxy)thieno[2,3-f][1]benzothiole

INCHI

1S/C34H54O2S2/c1-5-9-13-15-19-27(17-11-7-3)25-35-31-29-21-23-38-34(29)32(30-22-24-37-33(30)31)36-26-28(18-12-8-4)20-16-14-10-6-2/h21-24,27-28H,5-20,25-26H2,1-4H3

InChi Key

KXMWEJMSZOOOGR-UHFFFAOYSA-N

Smiles

CCCCCCC(CCCC)COC1=C2C=CSC2=C(C3=C1SC=C3)OCC(CCCC)CCCCCC

PubChem SID

488202123

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

558.357 Da

单同位素质量Monoisotopic Mass

558.357 Da

拓扑极表面积Topological Polar Surface Area

74.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

537.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

14.500

Reaxy-Rn

24664555

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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