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166192-28-5 | Thieno[2,3-b][1,4]thiazepin-5(4H)-one, 6,7-dihydro-
CAS No: 166192-28-5 Catalog No: AG001WJZ MDL No:
Product Description
Catalog Number:
AG001WJZ
Chemical Name:
Thieno[2,3-b][1,4]thiazepin-5(4H)-one, 6,7-dihydro-
CAS Number:
166192-28-5
Molecular Formula:
C7H7NOS2
Molecular Weight:
185.2666
IUPAC Name:
6,7-dihydro-4H-thieno[2,3-b][1,4]thiazepin-5-one
InChI:
InChI=1S/C7H7NOS2/c9-6-2-4-11-7-5(8-6)1-3-10-7/h1,3H,2,4H2,(H,8,9)
InChI Key:
OFFAFUGYWPWHDC-UHFFFAOYSA-N
SMILES:
C1CC(=O)Nc2c(S1)scc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.259g/mol
Monoisotopic Mass:
184.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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