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111888-30-3 | 1,5-Benzothiazepin-4(5H)-one, 5-methyl-
CAS No: 111888-30-3 Catalog No: AG007VDS MDL No:
Product Description
Catalog Number:
AG007VDS
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 5-methyl-
CAS Number:
111888-30-3
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
5-methyl-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C10H9NOS/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-7H,1H3
InChI Key:
HMEBBXHTOHJORB-UHFFFAOYSA-N
SMILES:
O=C1C=CSc2c(N1C)cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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