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ALPHA-OCTITHIOPHENE

ALPHA-OCTITHIOPHENE structure

CAS No:
113728-71-5
Formula:
C32H20S8
Chemical Name:
ALPHA-OCTITHIOPHENE
Synonyms:
alpha-Octithiophene;2,2":5",2"":5"",2""":5""",2"""":5"""",2""""":5""""",2"""""":5"""""",2"""""""-Octithiophene;ACMC-20miwl;SCHEMBL14703073;CTK0H2948;DTXSID70464271;O0313;1~2~,2~2~:2~5~,3~2~:3~5~,4~2~:4~5~,5~2~:5~5~,6~2~:6~5~,7~2~:7~5~,8~2~-Octithiophene (non-preferred name);2-thiophen-2-yl-5-[5-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ALPHA-OCTITHIOPHENE Basic Attributes

Molecular Weight：

661.038

Exact Mass：

659.93300

DSSTox ID：

DTXSID70464271

Characteristics

PSA：

226

XLogP3：

13.67120

Density：

1.425g/cm3

Melting Point：

364 °C

Boiling Point：

738.1ºC at 760 mmHg

Flash Point：

306.9ºC

Refractive Index：

1.735

Computed Properties

Molecular Weight:659.0
XLogP3:11.2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:657.9174200
Monoisotopic Mass:657.9174200
Topological Polar Surface Area:226
Heavy Atom Count:40
Complexity:789
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes