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89524-40-3 | Methanaminium, N-methyl-N-[[(phenylmethyl)thio]methylene]-
CAS No: 89524-40-3 Catalog No: AG003ZSF MDL No:
Product Description
Catalog Number:
AG003ZSF
Chemical Name:
Methanaminium, N-methyl-N-[[(phenylmethyl)thio]methylene]-
CAS Number:
89524-40-3
Molecular Formula:
C10H14NS+
Molecular Weight:
180.2899
IUPAC Name:
benzylsulfanylmethylidene(dimethyl)azanium
InChI:
InChI=1S/C10H14NS/c1-11(2)9-12-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1
InChI Key:
UFWRDEBGVBJLGE-UHFFFAOYSA-N
SMILES:
C[N+](=CSCc1ccccc1)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.085g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.289g/mol
Monoisotopic Mass:
180.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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