Text Search
Structure Search

3-(2-chloro-6-fluorophenyl)-N-[(dimethylamino)methylidene]-5-methyl-1,2-oxazole-4-carbothioamide

3-(2-chloro-6-fluorophenyl)-N-[(dimethylamino)methylidene]-5-methyl-1,2-oxazole-4-carbothioamide

CAS: 551930-86-0

Formula: C14H13ClFN3OS

SMILES: CN(C)C=NC(=S)C1=C(C)ON=C1C1=C(Cl)C=CC=C1F

IUPAC: 3-(2-chloro-6-fluorophenyl)-N-[(dimethylamino)methylidene]-5-methyl-1,2-oxazole-4-carbothioamide

InChI: InChI=1S/C14H13ClFN3OS/c1-8-11(14(21)17-7-19(2)3)13(18-20-8)12-9(15)5-4-6-10(12)16/h4-7H,1-3H3

Composition: C (51.61%), H (4.02%), Cl (10.88%), F (5.83%), N (12.90%), O (4.91%), S (9.84%)

Molar Mass: 325.79

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.0451891
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VOBZLWZWFFWSRS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.63
Topological Polar Surface Area 41.63
Polarizability 33.25
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 551930-86-0 $51.35-$86.31$51.35$63.37$86.31
Request Quote