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35265-83-9 molecular structure
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2,4-dichloro-7-methylthieno[3,2-d]pyrimidine

ChemBase ID: 68474
Molecular Formular: C7H4Cl2N2S
Molecular Mass: 219.09106
Monoisotopic Mass: 217.9472245
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)Cl)scc2C)Cl
Canonical SMILES:
Clc1nc(Cl)c2c(n1)c(C)cs2
InChI:
InChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3
InChIKey:
WUXYWALKGQDXFI-UHFFFAOYSA-N

Cite this record

CBID:68474 http://www.chembase.cn/molecule-68474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
IUPAC Traditional name
2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
Synonyms
2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine
CAS Number
35265-83-9
MDL Number
MFCD08061253
PubChem SID
162034205
PubChem CID
7147064

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7147064 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.557804  LogD (pH = 7.4) 3.557804 
Log P 3.557804  Molar Refractivity 52.0963 cm3
Polarizability 20.486992 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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