Text Search
Structure Search

N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}-2-phenylacetamide

N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}-2-phenylacetamide

CAS: 860609-98-9

Formula: C21H15N3OS2

SMILES: O=C(CC1=CC=CC=C1)NC1=C(SC(SCC#N)=C1C1=CC=CC=C1)C#N

IUPAC: N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}-2-phenylacetamide

InChI: InChI=1S/C21H15N3OS2/c22-11-12-26-21-19(16-9-5-2-6-10-16)20(17(14-23)27-21)24-18(25)13-15-7-3-1-4-8-15/h1-10H,12-13H2,(H,24,25)

Composition: C (64.76%), H (3.88%), N (10.79%), O (4.11%), S (16.46%)

Molar Mass: 389.49

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 389.065654463
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QDMPSMVTOCCVGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.52
Topological Polar Surface Area 76.68
Polarizability 42.84
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860609-98-9 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote