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5069-26-1 molecular structure
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2-methyl-5-phenylthiophene

ChemBase ID: 302700
Molecular Formular: C11H10S
Molecular Mass: 174.2621
Monoisotopic Mass: 174.05032132
SMILES and InChIs

SMILES:
Cc1ccc(s1)c1ccccc1
Canonical SMILES:
Cc1ccc(s1)c1ccccc1
InChI:
InChI=1S/C11H10S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey:
NEKXRPVOSZHILM-UHFFFAOYSA-N

Cite this record

CBID:302700 http://www.chembase.cn/molecule-302700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-phenylthiophene
IUPAC Traditional name
2-methyl-5-phenylthiophene
Synonyms
2-Methyl-5-phenylthiophene
2-甲基-5-苯基噻吩
CAS Number
5069-26-1
MDL Number
MFCD06201035

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.04348  LogD (pH = 7.4) 4.04348 
Log P 4.04348  Molar Refractivity 53.1404 cm3
Polarizability 21.777958 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)
Melting Point
46-49°C expand Show data source
TSCA Listed
expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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