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ALPHA-SEPTITHIOPHENE

ALPHA-SEPTITHIOPHENE structure

CAS No:
86100-63-2
Formula:
C28H18S7
Chemical Name:
ALPHA-SEPTITHIOPHENE
Synonyms:
alpha-Septithiophene;SCHEMBL13942801;CTK3C7737;DTXSID70518889;S0505;2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene;1~2~,2~2~:2~5~,3~2~:3~5~,4~2~:4~5~,5~2~:5~5~,6~2~:6~5~,7~2~-Septithiophene (non-preferred name);2,2":5",2"":5"",2""":5""",2"""":5"""",2""""":5""""",2""""""-Septithiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ALPHA-SEPTITHIOPHENE Basic Attributes

Molecular Weight：

578.912

Exact Mass：

577.94500

DSSTox ID：

DTXSID70518889

HScode：

2934999090

Characteristics

PSA：

198

XLogP3：

11.94270

Density：

1.416g/cm3

Melting Point：

328 °C

Boiling Point：

675.692ºC at 760 mmHg

Flash Point：

277.343ºC

Refractive Index：

1.729

Computed Properties

Molecular Weight:576.9
XLogP3:9.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:575.92969873
Monoisotopic Mass:575.92969873
Topological Polar Surface Area:198
Heavy Atom Count:35
Complexity:661
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes