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15795-42-3 | Benzenamine, 4-methyl-N-sulfinyl-
CAS No: 15795-42-3 Catalog No: AG001PUP MDL No:MFCD00045700
Product Description
Catalog Number:
AG001PUP
Chemical Name:
Benzenamine, 4-methyl-N-sulfinyl-
CAS Number:
15795-42-3
Molecular Formula:
C7H7NOS
Molecular Weight:
153.2016
MDL Number:
MFCD00045700
IUPAC Name:
1-methyl-4-(sulfinylamino)benzene
InChI:
InChI=1S/C7H7NOS/c1-6-2-4-7(5-3-6)8-10-9/h2-5H,1H3
InChI Key:
KLHMRBYLBVCGDT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=S=O
NSC Number:
77661
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.199g/mol
Monoisotopic Mass:
153.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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