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Home > Bromides > 1222669-39-7
1222669-39-7 | Thieno[3,2-c]pyridine, 2-broMo-3a,4,5,6,7,7a-hexahydro-
CAS No: 1222669-39-7 Catalog No: AG00170V MDL No:
Product Description
Catalog Number:
AG00170V
Chemical Name:
Thieno[3,2-c]pyridine, 2-broMo-3a,4,5,6,7,7a-hexahydro-
CAS Number:
1222669-39-7
Molecular Formula:
C7H10BrNS
Molecular Weight:
220.1300
IUPAC Name:
2-bromo-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C7H10BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,5-6,9H,1-2,4H2
InChI Key:
QFGHRQSIHKQGPZ-UHFFFAOYSA-N
SMILES:
BrC1=CC2C(S1)CCNC2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.972g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.128g/mol
Monoisotopic Mass:
218.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. | Bioorganic & medicinal chemistry 20080101 |
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