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1011408-19-7 molecular structure
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2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

ChemBase ID: 308427
Molecular Formular: C5H6N6S
Molecular Mass: 182.20634
Monoisotopic Mass: 182.03746522
SMILES and InChIs

SMILES:
n12c(nc(n1)SC)ncnc2N
Canonical SMILES:
CSc1nn2c(n1)ncnc2N
InChI:
InChI=1S/C5H6N6S/c1-12-5-9-4-8-2-7-3(6)11(4)10-5/h2H,1H3,(H2,6,7,8,9,10)
InChIKey:
WRSUZSPLQCGVEU-UHFFFAOYSA-N

Cite this record

CBID:308427 http://www.chembase.cn/molecule-308427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
IUPAC Traditional name
2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Synonyms
2-(methylthio)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CAS Number
1011408-19-7
MDL Number
MFCD10476962

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) 0.6881487  LogD (pH = 7.4) 0.6883575 
Log P 0.68836015  Molar Refractivity 59.6576 cm3
Polarizability 16.784151 Å3 Polar Surface Area 81.99 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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