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129618-62-8 molecular structure
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4-(methylsulfanyl)-1,2-dihydropyrimidin-2-one

ChemBase ID: 310061
Molecular Formular: C5H6N2OS
Molecular Mass: 142.17894
Monoisotopic Mass: 142.02008382
SMILES and InChIs

SMILES:
n1c(=O)[nH]ccc1SC
Canonical SMILES:
CSc1cc[nH]c(=O)n1
InChI:
InChI=1S/C5H6N2OS/c1-9-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey:
NALHPVUWRWEAQR-UHFFFAOYSA-N

Cite this record

CBID:310061 http://www.chembase.cn/molecule-310061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(methylsulfanyl)-1,2-dihydropyrimidin-2-one
IUPAC Traditional name
4-(methylsulfanyl)-1H-pyrimidin-2-one
Synonyms
4-(methylthio)-2(1H)-pyrimidinone
CAS Number
129618-62-8
MDL Number
MFCD07732327

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.41235414  LogD (pH = 7.4) 0.38384598 
Log P 0.41273338  Molar Refractivity 37.069 cm3
Polarizability 14.019082 Å3 Polar Surface Area 41.46 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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