thieno[3,2-b]thiophene-5-carbonitrile


Chemical Name: thieno[3,2-b]thiophene-5-carbonitrile
CAS Number: 40985-58-8
Product Number: AG0073QJ(AGN-PC-0ALIM7)
Synonyms:
MDL No:
Molecular Formula: C7H3NS2
Molecular Weight: 165.2354

Identification/Properties


Computed Properties
Molecular Weight:
165.228g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
164.971g/mol
Monoisotopic Mass:
164.971g/mol
Topological Polar Surface Area:
80.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
183
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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