Name: Name:2-amino-7,7-dimethyl-5-[2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophene-3-carbonitrile
Brand: Angene
SKU: AG00IA6U
Rating: 90 (10 reviews)

2-amino-7,7-dimethyl-5-[2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophene-3-carbonitrile

CAS No.:

571153-17-8

Catalog Number:

AG00IA6U

Molecular Formula:

C18H17N3S

Molecular Weight:

307.4127

Catalog Number:

AG00IA6U

Chemical Name:

2-amino-7,7-dimethyl-5-[2-(pyridin-2-yl)ethenyl]-6,7-dihydro-1-benzothiophene-3-carbonitrile

CAS Number:

571153-17-8

Molecular Formula:

C18H17N3S

Molecular Weight:

307.4127

MDL Number:

MFCD03984480

IUPAC Name:

2-amino-7,7-dimethyl-5-(2-pyridin-2-ylethenyl)-6H-1-benzothiophene-3-carbonitrile

InChI:

InChI=1S/C18H17N3S/c1-18(2)10-12(6-7-13-5-3-4-8-21-13)9-14-15(11-19)17(20)22-16(14)18/h3-9H,10,20H2,1-2H3

InChI Key:

INXFLWRKBBYRGX-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)sc2c1C=C(C=Cc1ccccn1)CC2(C)C

Complexity:

528

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.415g/mol

Monoisotopic Mass:

307.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3