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87254-69-1 | 2H-1-Benzothiopyran-8-amine, 3,4-dihydro-
CAS No: 87254-69-1 Catalog No: AG004J8F MDL No:
Product Description
Catalog Number:
AG004J8F
Chemical Name:
2H-1-Benzothiopyran-8-amine, 3,4-dihydro-
CAS Number:
87254-69-1
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
IUPAC Name:
3,4-dihydro-2H-thiochromen-8-amine
InChI:
InChI=1S/C9H11NS/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6,10H2
InChI Key:
XVLIVDNUXFJPLY-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1SCCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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