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850349-32-5 | Thiomorpholine,4-[(3-bromophenyl)sulfonyl]-
CAS No: 850349-32-5 Catalog No: AG004PVE MDL No:MFCD06657738
Product Description
Catalog Number:
AG004PVE
Chemical Name:
Thiomorpholine,4-[(3-bromophenyl)sulfonyl]-
CAS Number:
850349-32-5
Molecular Formula:
C10H12BrNO2S2
Molecular Weight:
322.2418
MDL Number:
MFCD06657738
IUPAC Name:
4-(3-bromophenyl)sulfonylthiomorpholine
InChI:
InChI=1S/C10H12BrNO2S2/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2
InChI Key:
ALQQBRRUKQEDOM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)N1CCSCC1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.949g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.235g/mol
Monoisotopic Mass:
320.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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