4H-Cyclopenta[b]thiophene-3-carbonitrile, 2-amino-5,6-dihydro-


Chemical Name: 4H-Cyclopenta[b]thiophene-3-carbonitrile, 2-amino-5,6-dihydro-
CAS Number: 70291-62-2
Product Number: AG005W88(AGN-PC-0JNUMD)
Synonyms:
MDL No:
Molecular Formula: C8H8N2S
Molecular Weight: 164.2275

Identification/Properties


Properties
MP:
153-154℃
BP:
379.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
164.226g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
164.041g/mol
Monoisotopic Mass:
164.041g/mol
Topological Polar Surface Area:
78A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
207
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H302+H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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