Text Search
Structure Search

N'-{5-[1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-N-methoxymethanimidamide

N'-{5-[1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-N-methoxymethanimidamide

CAS: 338775-61-4

Formula: C14H13N5O2S

SMILES: CONC=NC1=NN=C(S1)C(=CC1=CC=C(OC)C=C1)C#N

IUPAC: N'-{5-[1-cyano-2-(4-methoxyphenyl)eth-1-en-1-yl]-1,3,4-thiadiazol-2-yl}-N-methoxymethanimidamide

InChI: InChI=1S/C14H13N5O2S/c1-20-12-5-3-10(4-6-12)7-11(8-15)13-18-19-14(22-13)16-9-17-21-2/h3-7,9H,1-2H3,(H,16,17,19)

Composition: C (53.32%), H (4.16%), N (22.21%), O (10.15%), S (10.17%)

Molar Mass: 315.35

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.078995853
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey MWSMLPXQBPDDHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.76
Topological Polar Surface Area 92.42
Polarizability 30.78
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338775-61-4 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote