(5-NITRO-2-FURYL)METHYL AMINOMETHANIMIDOTHIOATE HYDROBROMIDE 82118-18-1 wiki

1.2 Synonyms: (5-NITRO-2-FURYL)METHYL AMINOMETHANIMIDOTHIOATE HYDROBROMIDE; (5-Nitro-2-furyl)methylaminomethanimidothioate hydrobromide; (5-NITROFURAN-2-YL)METHYL CARBAMIMIDOTHIOATE HYDROBROMIDE; 1-[(5-Nitro-2-furyl)methyl]thiourea hydrobromide (1:1); 2-Amidinothiomethyl-5-nitrofuran hydrobromide; carbamimidothioic acid (5-nitro-2-furanyl)methyl ester hydrobromide; SALOR-INT L307378-1EA; Thiourea, N-[(5-nitro-2-furanyl)methyl]-, hydrobromide (1:1);

1.6 Inchi: InChI=1S/C6H7N3O3S.BrH/c7-6(8)13-3-4-1-2-5(12-4)9(10)11;/h1-2H,3H2,(H3,7,8);1H

20782-91-6 10 Suppliers

62-56-6 429 Suppliers

82118-18-1 12 Suppliers

20782-91-6 10 Suppliers

17356-08-0

82118-18-1 12 Suppliers

5. Precursor and Product

precursor:

17356-08-0

20782-91-6

166887-84-9

62-56-6

6. Computed Properties

Molecular Weight：282.112g/mol
Molecular Formula：C₆H₈BrN₃O₃S
Compound Is Canonicalized：True
XLogP3-AA：280.94697
Monoisotopic Mass：280.94697
Complexity：218
Rotatable Bond Count：3
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：134
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint：AAADccBjMABAEAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQUAAAACASF0ACxhIBQREipAKFScwCCCgDsIhAoiAEGbMoMJjKktZuKGSDkwBEI6Ya8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==