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Carbamimidothioicacid, octadecyl ester, monohydrobromide (9CI) 5397-08-0 98%
Identification and Related Records
【Name】
Carbamimidothioicacid, octadecyl ester, monohydrobromide (9CI)
【Iupac name】
octadecyl carbamimidothioate hydrobromide
【CAS Registry number】
5397-08-0
【Synonyms】
Pseudourea,2-octadecyl-2-thio-, hydrobromide (7CI)
【Molecular Formula】
C19H40 N2 S . Br H (Products with the same molecular formula)
【Molecular Weight】
328.5993
【Inchi】
InChI=1S/C19H40N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H3,20,21);1H
【Canonical SMILES】
CCCCCCCCCCCCCCCCCCSC(=N)N.Br
Chemical and Physical Properties
【Density】
0.95g/cm3
【Boiling Point】
430.7°Cat760mmHg
【Flash Point】
214.3°C
【Computed Properties】
Molecular Weight:409.51124 [g/mol]
Molecular Formula:C19H41BrN2S
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:18
Exact Mass:408.217383
MonoIsotopic Mass:408.217383
Topological Polar Surface Area:75.2
Heavy Atom Count:23
Formal Charge:0
Complexity:232
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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