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109904-25-8 molecular structure
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5-(triphenylmethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

ChemBase ID: 178420
Molecular Formular: C26H23NS
Molecular Mass: 381.53252
Monoisotopic Mass: 381.15512074
SMILES and InChIs

SMILES:
C1N(Cc2c(C1)scc2)C(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)C(N1CCc2c(C1)ccs2)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H23NS/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)27-18-16-25-21(20-27)17-19-28-25/h1-15,17,19H,16,18,20H2
InChIKey:
FZKZMCVLPGUJJQ-UHFFFAOYSA-N

Cite this record

CBID:178420 http://www.chembase.cn/molecule-178420.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(triphenylmethyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
IUPAC Traditional name
5-(triphenylmethyl)-4H,6H,7H-thieno[3,2-c]pyridine
Synonyms
5-Trityl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
4,5,6,7-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridine
CAS Number
109904-25-8
PubChem SID
164234330
PubChem CID
13748461

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC T295795 external link Add to cart
PubChem 13748461 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 13748461 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2005405  LogD (pH = 7.4) 5.961086 
Log P 7.024368  Molar Refractivity 119.9608 cm3
Polarizability 45.924824 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
95°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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