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129791-08-8 | 3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS No: 129791-08-8 Catalog No: AG01A29J MDL No:MFCD20676923
Product Description
Catalog Number:
AG01A29J
Chemical Name:
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS Number:
129791-08-8
MDL Number:
MFCD20676923
IUPAC Name:
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
InChI:
InChI=1S/C10H13NS/c1-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8,11H,6-7H2,1H3
InChI Key:
YDWJUYRJRJCEBC-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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