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100610-68-2 | 4-Thiomorpholineacetic acid, α-(phenylmethyl)-, 1,1-dioxide
CAS No: 100610-68-2 Catalog No: AG0002H3 MDL No:MFCD02186946
Product Description
Catalog Number:
AG0002H3
Chemical Name:
4-Thiomorpholineacetic acid, α-(phenylmethyl)-, 1,1-dioxide
CAS Number:
100610-68-2
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD02186946
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid
InChI:
InChI=1S/C13H17NO4S/c15-13(16)12(10-11-4-2-1-3-5-11)14-6-8-19(17,18)9-7-14/h1-5,12H,6-10H2,(H,15,16)
InChI Key:
UDDLQGMQPCGTPD-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1CCS(=O)(=O)CC1)Cc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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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