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2-cyano-1-methyl-1-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine

2-cyano-1-methyl-1-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine structure

CAS No:
100650-69-9
Formula:
C12H18N6OS
Chemical Name:
2-cyano-1-methyl-1-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine
Synonyms:
Pyrano[3,4-d]imidazole,guanidine deriv.; Guanidine,N-cyano-N'-methyl-N''-[2-[[(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]thio]ethyl]-(9CI); Guanidine,N-cyano-N''-methyl-N'-[2-[[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]thio]ethyl];

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2-cyano-1-methyl-1-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine Basic Attributes

Molecular Weight：

294.37600

Exact Mass：

294.12628039

Characteristics

PSA：

128.62000

XLogP3：

1.18458

Density：

1.4g/cm3

Boiling Point：

560.7ºC at 760mmHg

Flash Point：

292.9ºC

Refractive Index：

1.678

Vapor Pressure：

1.33E-12mmHg at 25°C

Computed Properties

Molecular Weight:294.38
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:294.12628039
Monoisotopic Mass:294.12628039
Topological Polar Surface Area:123
Heavy Atom Count:20
Complexity:381
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-cyano-1-methyl-1-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]guanidine

Basic Attributes
Characteristics
Computed Properties

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