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89597-63-7 | 1H-Pyrrole, 2-[(3-bromopropyl)thio]-1-[(4-methylphenyl)sulfonyl]-
CAS No: 89597-63-7 Catalog No: AG003X69 MDL No:
Product Description
Catalog Number:
AG003X69
Chemical Name:
1H-Pyrrole, 2-[(3-bromopropyl)thio]-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
89597-63-7
Molecular Formula:
C14H16BrNO2S2
Molecular Weight:
374.3163
IUPAC Name:
2-(3-bromopropylsulfanyl)-1-(4-methylphenyl)sulfonylpyrrole
InChI:
InChI=1S/C14H16BrNO2S2/c1-12-5-7-13(8-6-12)20(17,18)16-10-2-4-14(16)19-11-3-9-15/h2,4-8,10H,3,9,11H2,1H3
InChI Key:
QTYJWTVILJTYDZ-UHFFFAOYSA-N
SMILES:
BrCCCSc1cccn1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.981g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.311g/mol
Monoisotopic Mass:
372.981g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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