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Home > Fluorides > 163490-78-6
163490-78-6 | Carbamimidothioic acid, N-[4-(trifluoromethyl)phenyl]-, ethyl ester, hydrochloride (1:1)
CAS No: 163490-78-6 Catalog No: AG001U5G MDL No:MFCD01320531
Product Description
Catalog Number:
AG001U5G
Chemical Name:
Carbamimidothioic acid, N-[4-(trifluoromethyl)phenyl]-, ethyl ester, hydrochloride (1:1)
CAS Number:
163490-78-6
Molecular Formula:
C10H12ClF3N2S
Molecular Weight:
284.7289
MDL Number:
MFCD01320531
IUPAC Name:
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate;hydrochloride
InChI:
InChI=1S/C10H11F3N2S.ClH/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13;/h3-6H,2H2,1H3,(H2,14,15);1H
InChI Key:
UVJQIYZYQQKIAC-UHFFFAOYSA-N
SMILES:
CCSC(=N)Nc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.725g/mol
Monoisotopic Mass:
284.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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