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Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine

Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine structure

CAS No:
127060-77-9
Formula:
C12H23N3O3S2
Chemical Name:
Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine
Synonyms:
2-Furanmethanamine,tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-;2-Furanethanesulfenamide,5-[(dimethylamino)methyl]tetrahydro-N-[1-(methylthio)-2-nitroethenyl]-;Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine;Cistoran

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Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine Basic Attributes

Molecular Weight：

321.464

Exact Mass：

321.46

Characteristics

PSA：

120.92000

XLogP3：

3.07620

Density：

1.185g/cm3

Boiling Point：

427.2ºC at 760mmHg

Flash Point：

212.1ºC

Refractive Index：

1.55

Vapor Pressure：

1.67E-07mmHg at 25°C

Drug Information

MeSH Entry Terms：

cistoran

Computed Properties

Molecular Weight:321.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:321.11808395
Monoisotopic Mass:321.11808395
Topological Polar Surface Area:121
Heavy Atom Count:20
Complexity:334
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine

Basic Attributes
Characteristics
Drug Information
Computed Properties

Tetrahydro-N,N-dimethyl-5-[2-[[[1-(methylthio)-2-nitroethenyl]amino]thio]ethyl]-2-furanmethanamine

SDS

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