Name: Name:3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-
Brand: Angene
SKU: AG008FKE
Rating: 90 (10 reviews)

3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-

CAS No.:

86604-36-6

Catalog Number:

AG008FKE

Molecular Formula:

C11H7ClN2S

Molecular Weight:

234.7047

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Product Description

Catalog Number:

AG008FKE

Chemical Name:

3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-

CAS Number:

86604-36-6

Molecular Formula:

C11H7ClN2S

Molecular Weight:

234.7047

MDL Number:

MFCD02854970

IUPAC Name:

2-amino-4-(4-chlorophenyl)thiophene-3-carbonitrile

InChI:

InChI=1S/C11H7ClN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2

InChI Key:

DENZDRMQVPFLLB-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)scc1c1ccc(cc1)Cl

Properties

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.701g/mol

Monoisotopic Mass:

234.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
2-Aminothiophenes as building blocks in heterocyclic synthesis: synthesis and antimicrobial evaluation of a new class of pyrido[1,2-a]thieno[3,2-e]pyrimidine, quinoline and pyridin-2-one derivatives.	European journal of medicinal chemistry 20120601