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75554-00-6 | Benzenemethanamine,4-methyl-a-sulfinyl-
CAS No: 75554-00-6 Catalog No: AG005K5C MDL No:
Product Description
Catalog Number:
AG005K5C
Chemical Name:
Benzenemethanamine,4-methyl-a-sulfinyl-
CAS Number:
75554-00-6
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
IUPAC Name:
(4-methylphenyl)-sulfinylmethanamine
InChI:
InChI=1S/C8H9NOS/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5H,9H2,1H3
InChI Key:
WTGWOZOXYNUTSS-UHFFFAOYSA-N
SMILES:
NC(=S=O)c1ccc(cc1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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