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16175-48-7 | 2H-1,6-Benzothiazocin-5(6H)-one, 3,4-dihydro-
CAS No: 16175-48-7 Catalog No: AG001VUV MDL No:
Product Description
Catalog Number:
AG001VUV
Chemical Name:
2H-1,6-Benzothiazocin-5(6H)-one, 3,4-dihydro-
CAS Number:
16175-48-7
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
2,3,4,6-tetrahydro-1,6-benzothiazocin-5-one
InChI:
InChI=1S/C10H11NOS/c12-10-6-3-7-13-9-5-2-1-4-8(9)11-10/h1-2,4-5H,3,6-7H2,(H,11,12)
InChI Key:
ZIDOPTYCTYZLNQ-UHFFFAOYSA-N
SMILES:
O=C1CCCSc2c(N1)cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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