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192634-83-6 | Ethanamine, 2-[(3,4-dimethylphenyl)thio]-
CAS No: 192634-83-6 Catalog No: AG002G5H MDL No:MFCD06359949
Product Description
Catalog Number:
AG002G5H
Chemical Name:
Ethanamine, 2-[(3,4-dimethylphenyl)thio]-
CAS Number:
192634-83-6
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD06359949
IUPAC Name:
2-(3,4-dimethylphenyl)sulfanylethanamine
InChI:
InChI=1S/C10H15NS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6,11H2,1-2H3
InChI Key:
ZBYSFBBOAZKLLO-UHFFFAOYSA-N
SMILES:
NCCSc1ccc(c(c1)C)C
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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