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250-84-0 molecular structure
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thieno[2,3-b]thiophene

ChemBase ID: 142975
Molecular Formular: C6H4S2
Molecular Mass: 140.22596
Monoisotopic Mass: 139.97544213
SMILES and InChIs

SMILES:
c1csc2c1ccs2
Canonical SMILES:
c1cc2c(s1)scc2
InChI:
InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H
InChIKey:
YHBTXTFFTYXOFV-UHFFFAOYSA-N

Cite this record

CBID:142975 http://www.chembase.cn/molecule-142975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[2,3-b]thiophene
IUPAC Traditional name
thieno[2,3-b]thiophene
Synonyms
Thieno[2,3-b]thiophene
Thieno[2,3-b]thiophene
噻吩[2,3-b]噻吩
CAS Number
250-84-0
MDL Number
MFCD02824126
PubChem SID
162237201
PubChem CID
136062

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 136062 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.985016  LogD (pH = 7.4) 2.985016 
Log P 2.985016  Molar Refractivity 35.4284 cm3
Polarizability 14.48517 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
199.4 °F expand Show data source
93 °C expand Show data source
Density
1.326 g/cm3 at 25 °C expand Show data source
Refractive Index
n20/D 1.668 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Empirical Formula (Hill Notation)
C6H4S2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 702641 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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