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3988-99-6 molecular structure
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2-(thiophen-2-ylsulfanyl)thiophene

ChemBase ID: 82713
Molecular Formular: C8H6S3
Molecular Mass: 198.32824
Monoisotopic Mass: 197.96316319
SMILES and InChIs

SMILES:
S(c1cccs1)c1cccs1
Canonical SMILES:
c1csc(c1)Sc1cccs1
InChI:
InChI=1S/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H
InChIKey:
AKYIWBKPINOXJY-UHFFFAOYSA-N

Cite this record

CBID:82713 http://www.chembase.cn/molecule-82713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-ylsulfanyl)thiophene
IUPAC Traditional name
2-(thiophen-2-ylsulfanyl)thiophene
Synonyms
2-(2-thienylthio)thiophene
2-(2-Thienylthio)thiophene
Di-2-thienyl sulfide
CAS Number
3988-99-6
MDL Number
MFCD00052047
PubChem SID
162069832
PubChem CID
138094

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 138094 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.054871  LogD (pH = 7.4) 4.054871 
Log P 4.054871  Molar Refractivity 51.2735 cm3
Polarizability 20.294928 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)
Boiling Point
102-104°C/0.9mm expand Show data source
Flash Point
>100°C(212°F) expand Show data source
Density
1.311 expand Show data source
Refractive Index
1.6490 expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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