2-[(E)-(pyrrolidin-1-ylmethylidene)amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

2-[(E)-(pyrrolidin-1-ylmethylidene)amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

Formula: C15H19N3S

SMILES: N#CC1=C(SC2=C1CCCCC2)N=CN1CCCC1

IUPAC: 2-[(E)-[(pyrrolidin-1-yl)methylidene]amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

InChI: InChI=1S/C15H19N3S/c16-10-13-12-6-2-1-3-7-14(12)19-15(13)17-11-18-8-4-5-9-18/h11H,1-9H2/b17-11+

Composition: C (65.90%), H (7.01%), N (15.37%), S (11.73%)

Molar Mass: 273.4

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.129968798
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AIXMVRYALUKSMI-GZTJUZNOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.46
Topological Polar Surface Area 39.39
Polarizability 29.47
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H19N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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