Text Search
Structure Search

1-[(5-bromopyridin-3-yl)oxy]-N,N-dimethylmethanethioamide

1-[(5-bromopyridin-3-yl)oxy]-N,N-dimethylmethanethioamide

CAS: 1245563-14-7

Formula: C8H9BrN2OS

SMILES: CN(C)C(=S)OC1=CC(Br)=CN=C1

IUPAC: 1-[(5-bromopyridin-3-yl)oxy]-N,N-dimethylmethanethioamide

InChI: InChI=1S/C8H9BrN2OS/c1-11(2)8(13)12-7-3-6(9)4-10-5-7/h3-5H,1-2H3

Composition: C (36.80%), H (3.47%), Br (30.60%), N (10.73%), O (6.13%), S (12.28%)

Molar Mass: 261.14

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.961897
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QFYLIIDNTFHXSD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.12
Topological Polar Surface Area 25.36
Polarizability 23.02
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1245563-14-7 $246.10-$2,365.55$246.10$491.05$952.20$2,365.55
Request Quote