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104863-93-6 | 2-m-Tolylsulfanyl-ethylamine
CAS No: 104863-93-6 Catalog No: AG01FF8K MDL No:
Product Description
Catalog Number:
AG01FF8K
Chemical Name:
2-m-Tolylsulfanyl-ethylamine
CAS Number:
104863-93-6
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
IUPAC Name:
2-(3-methylphenyl)sulfanylethanamine
InChI:
InChI=1S/C9H13NS/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,5-6,10H2,1H3
InChI Key:
WFVAXOJKXQAWAS-UHFFFAOYSA-N
SMILES:
NCCSc1cccc(c1)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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