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130110-32-6 | 2H-1,6-Benzothiazocine, 3,4-dihydro-5-(methylthio)-
CAS No: 130110-32-6 Catalog No: AG000U0C MDL No:
Product Description
Catalog Number:
AG000U0C
Chemical Name:
2H-1,6-Benzothiazocine, 3,4-dihydro-5-(methylthio)-
CAS Number:
130110-32-6
Molecular Formula:
C11H13NS2
Molecular Weight:
223.3576
IUPAC Name:
5-methylsulfanyl-3,4-dihydro-2H-1,6-benzothiazocine
InChI:
InChI=1S/C11H13NS2/c1-13-11-7-4-8-14-10-6-3-2-5-9(10)12-11/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
NWIGGRPTQYILDY-UHFFFAOYSA-N
SMILES:
CSC1=Nc2ccccc2SCCC1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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