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143627-52-5 | {2-[(3-methylbenzyl)thio]ethyl}amine
CAS No: 143627-52-5 Catalog No: AG01FDJO MDL No:
Product Description
Catalog Number:
AG01FDJO
Chemical Name:
{2-[(3-methylbenzyl)thio]ethyl}amine
CAS Number:
143627-52-5
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
IUPAC Name:
2-[(3-methylphenyl)methylsulfanyl]ethanamine
InChI:
InChI=1S/C10H15NS/c1-9-3-2-4-10(7-9)8-12-6-5-11/h2-4,7H,5-6,8,11H2,1H3
InChI Key:
NONUMUOTESFVET-UHFFFAOYSA-N
SMILES:
NCCSCc1cccc(c1)C
Properties
Complexity:
116
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:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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