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156171-03-8 | 2H-Quinolizine-1-methanethiol, octahydro-, (1R,9aR)-
CAS No: 156171-03-8 Catalog No: AG001OKF MDL No:
Product Description
Catalog Number:
AG001OKF
Chemical Name:
2H-Quinolizine-1-methanethiol, octahydro-, (1R,9aR)-
CAS Number:
156171-03-8
Molecular Formula:
C10H19NS
Molecular Weight:
185.3296
IUPAC Name:
[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanethiol
InChI:
InChI=1S/C10H19NS/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10?/m0/s1
InChI Key:
IDJFQEVIICXDDP-RGURZIINSA-N
SMILES:
SC[C@@H]1CCCN2[C@@H]1CCCC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.124g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.329g/mol
Monoisotopic Mass:
185.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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