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17494-28-9 | Thiomorpholine, 4-[(4-bromophenyl)methyl]-
CAS No: 17494-28-9 Catalog No: AG002028 MDL No:MFCD00811276
Product Description
Catalog Number:
AG002028
Chemical Name:
Thiomorpholine, 4-[(4-bromophenyl)methyl]-
CAS Number:
17494-28-9
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
MDL Number:
MFCD00811276
IUPAC Name:
4-[(4-bromophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H14BrNS/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChI Key:
QRJPSPKQDYBMGV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1CCSCC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.204g/mol
Monoisotopic Mass:
271.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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