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111604-40-1 | 1,5-Benzothiazepine, 4-ethyl-2,3,4,5-tetrahydro-
CAS No: 111604-40-1 Catalog No: AG007SN8 MDL No:
Product Description
Catalog Number:
AG007SN8
Chemical Name:
1,5-Benzothiazepine, 4-ethyl-2,3,4,5-tetrahydro-
CAS Number:
111604-40-1
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
IUPAC Name:
4-ethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
InChI:
InChI=1S/C11H15NS/c1-2-9-7-8-13-11-6-4-3-5-10(11)12-9/h3-6,9,12H,2,7-8H2,1H3
InChI Key:
VQQUUQHAONSSGU-UHFFFAOYSA-N
SMILES:
CCC1CCSc2c(N1)cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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