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31404-08-7 | 2-(4-METHOXY-PHENYL)-THIAZOLIDINE
CAS No: 31404-08-7 Catalog No: AG00C04M MDL No:MFCD00222821
Product Description
Catalog Number:
AG00C04M
Chemical Name:
2-(4-METHOXY-PHENYL)-THIAZOLIDINE
CAS Number:
31404-08-7
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
MDL Number:
MFCD00222821
IUPAC Name:
2-(4-methoxyphenyl)-1,3-thiazolidine
InChI:
InChI=1S/C10H13NOS/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3
InChI Key:
OQFUUZFCTONCOU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NCCS1
NSC Number:
96378
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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