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6516-85-4 | 3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride
CAS No: 6516-85-4 Catalog No: AG01A2FE MDL No:MFCD22578560
Product Description
Catalog Number:
AG01A2FE
Chemical Name:
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride
CAS Number:
6516-85-4
Molecular Formula:
C10H14ClNS
Molecular Weight:
215.7429
MDL Number:
MFCD22578560
IUPAC Name:
3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride
InChI:
InChI=1S/C10H13NS.ClH/c1-8-6-11-9-4-2-3-5-10(9)12-7-8;/h2-5,8,11H,6-7H2,1H3;1H
InChI Key:
AWKRWJGDWHEIFH-UHFFFAOYSA-N
SMILES:
CC1CSc2c(NC1)cccc2.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.739g/mol
Monoisotopic Mass:
215.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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