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119703-02-5 | Methanamine, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 119703-02-5 Catalog No: AG000PHF MDL No:
Product Description
Catalog Number:
AG000PHF
Chemical Name:
Methanamine, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
119703-02-5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
(4-methylphenyl)sulfonylmethanamine
InChI:
InChI=1S/C8H11NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,6,9H2,1H3
InChI Key:
HELAGCGZPSHHKZ-UHFFFAOYSA-N
SMILES:
NCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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