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2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI)

2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI) structure

CAS No:
653603-16-8
Formula:
C5H6N2S
Chemical Name:
2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI)
Synonyms:
2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI)

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2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI) Basic Attributes

Molecular Weight：

126.177

Exact Mass：

126.025

DSSTox ID：

DTXSID20667038

Characteristics

PSA：

56.2

XLogP3：

0.1

Density：

1.41±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:126.18
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:126.02516937
Monoisotopic Mass:126.02516937
Topological Polar Surface Area:56.2
Heavy Atom Count:8
Complexity:164
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI)

Basic Attributes
Characteristics
Computed Properties

2,7-Diazabicyclo[2.2.1]hept-5-ene-3-thione(9CI)

SDS

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