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6516-91-2 | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-methyl-
CAS No: 6516-91-2 Catalog No: AG006Q2G MDL No:MFCD22566084
Product Description
Catalog Number:
AG006Q2G
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-methyl-
CAS Number:
6516-91-2
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD22566084
IUPAC Name:
3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C10H11NOS/c1-7-6-13-9-5-3-2-4-8(9)11-10(7)12/h2-5,7H,6H2,1H3,(H,11,12)
InChI Key:
SQVZWOGDKSYYIC-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SCC1C
Properties
Complexity:
207
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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