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92503-61-2 | 4-METHYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
CAS No: 92503-61-2 Catalog No: AG00GSP0 MDL No:MFCD07366382
Product Description
Catalog Number:
AG00GSP0
Chemical Name:
4-METHYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE
CAS Number:
92503-61-2
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD07366382
IUPAC Name:
4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C8H11NS/c1-6-7-3-5-10-8(7)2-4-9-6/h3,5-6,9H,2,4H2,1H3
InChI Key:
IKTLCKCXJUXCSP-UHFFFAOYSA-N
SMILES:
CC1NCCc2c1ccs2
Properties
Complexity:
126
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:
0
Topological Polar Surface Area:
40.3A^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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