Carbamodithioic acid, methylphenyl-, cyanomethyl ester


Chemical Name: Carbamodithioic acid, methylphenyl-, cyanomethyl ester
CAS Number: 76926-16-4
Product Number: AG003P3K(AGN-PC-00B8V0)
Synonyms:
MDL No: MFCD16038113
Molecular Formula: C10H10N2S2
Molecular Weight: 222.3298

Identification/Properties


Properties
MP:
88 - 90°C
Storage:
-10 ℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
222.324g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
222.029g/mol
Monoisotopic Mass:
222.029g/mol
Topological Polar Surface Area:
84.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
238
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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