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102367-25-9 | 2H-1-Benzothiopyran-2-one, 3-amino-4-(dipropylamino)-
CAS No: 102367-25-9 Catalog No: AG00079I MDL No:
Product Description
Catalog Number:
AG00079I
Chemical Name:
2H-1-Benzothiopyran-2-one, 3-amino-4-(dipropylamino)-
CAS Number:
102367-25-9
Molecular Formula:
C15H20N2OS
Molecular Weight:
276.3971
IUPAC Name:
3-amino-4-(dipropylamino)thiochromen-2-one
InChI:
InChI=1S/C15H20N2OS/c1-3-9-17(10-4-2)14-11-7-5-6-8-12(11)19-15(18)13(14)16/h5-8H,3-4,9-10,16H2,1-2H3
InChI Key:
HYVHTKLXVVZZBO-UHFFFAOYSA-N
SMILES:
CCCN(c1c(N)c(=O)sc2c1cccc2)CCC
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.13g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.398g/mol
Monoisotopic Mass:
276.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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