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18850-47-0 | 1-Benzothiepin-5(2H)-one, 3,4-dihydro-7-methyl-
CAS No: 18850-47-0 Catalog No: AG002GXC MDL No:
Product Description
Catalog Number:
AG002GXC
Chemical Name:
1-Benzothiepin-5(2H)-one, 3,4-dihydro-7-methyl-
CAS Number:
18850-47-0
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
IUPAC Name:
7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one
InChI:
InChI=1S/C11H12OS/c1-8-4-5-11-9(7-8)10(12)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3
InChI Key:
RMIUBEHFVJTFGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)CCCS2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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