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3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine

3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine structure

CAS No:
142744-17-0
Formula:
C16H21N5O5S
Chemical Name:
3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine

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3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine Basic Attributes

Molecular Weight：

395.43300

Exact Mass：

395.12633996

DSSTox ID：

DTXSID40162156

Characteristics

PSA：

171.37000

XLogP3：

4.78570

Density：

1.402g/cm3

Boiling Point：

605.6ºC

Flash Point：

320.1ºC

Refractive Index：

1.668

Vapor Pressure：

1.29E-14mmHg at 25°C

Computed Properties

Molecular Weight:395.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:395.12633996
Monoisotopic Mass:395.12633996
Topological Polar Surface Area:171
Heavy Atom Count:27
Complexity:501
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine

Basic Attributes
Characteristics
Computed Properties

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