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114567-89-4 | Ethanaminium, 2-[(aminoiminomethyl)thio]-N,N,N-trimethyl-, chloride (1:1)
CAS No: 114567-89-4 Catalog No: AG000EPY MDL No:
Product Description
Catalog Number:
AG000EPY
Chemical Name:
Ethanaminium, 2-[(aminoiminomethyl)thio]-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
114567-89-4
Molecular Formula:
C6H16ClN3S
Molecular Weight:
197.7293
IUPAC Name:
2-methanehydrazonoylsulfanylethyl(trimethyl)azanium;chloride
InChI:
InChI=1S/C6H16N3S.ClH/c1-9(2,3)4-5-10-6-8-7;/h6H,4-5,7H2,1-3H3;1H/q+1;/p-1
InChI Key:
POLDUDJQUXVODP-UHFFFAOYSA-M
SMILES:
NN=CSCC[N+](C)(C)C.[Cl-]
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.725g/mol
Monoisotopic Mass:
197.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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