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14471-18-2 | 2-Thiophenemethanamine, N-cyclopropyl-
CAS No: 14471-18-2 Catalog No: AG001K3D MDL No:MFCD03856576
Product Description
Catalog Number:
AG001K3D
Chemical Name:
2-Thiophenemethanamine, N-cyclopropyl-
CAS Number:
14471-18-2
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD03856576
IUPAC Name:
N-(thiophen-2-ylmethyl)cyclopropanamine
InChI:
InChI=1S/C8H11NS/c1-2-8(10-5-1)6-9-7-3-4-7/h1-2,5,7,9H,3-4,6H2
InChI Key:
CZJPDZTVBQYPHD-UHFFFAOYSA-N
SMILES:
c1csc(c1)CNC1CC1
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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