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115335-16-5 | Ethanamine, N-methyl-2-[(4-methylphenyl)thio]-
CAS No: 115335-16-5 Catalog No: AG000GMI MDL No:MFCD08691993
Product Description
Catalog Number:
AG000GMI
Chemical Name:
Ethanamine, N-methyl-2-[(4-methylphenyl)thio]-
CAS Number:
115335-16-5
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD08691993
IUPAC Name:
N-methyl-2-(4-methylphenyl)sulfanylethanamine
InChI:
InChI=1S/C10H15NS/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3-6,11H,7-8H2,1-2H3
InChI Key:
OKXZTCFMGIUXTB-UHFFFAOYSA-N
SMILES:
CNCCSc1ccc(cc1)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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