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58121-91-8 | 2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride
CAS No: 58121-91-8 Catalog No: AG01C4PT MDL No:MFCD01663183
Product Description
Catalog Number:
AG01C4PT
Chemical Name:
2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride
CAS Number:
58121-91-8
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
MDL Number:
MFCD01663183
IUPAC Name:
2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride
InChI:
InChI=1S/C9H11NS.ClH/c1-2-5-9-8(4-1)10-6-3-7-11-9;/h1-2,4-5,10H,3,6-7H2;1H
InChI Key:
KPYCPXPYGHGTDC-UHFFFAOYSA-N
SMILES:
C1CSc2c(NC1)cccc2.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.712g/mol
Monoisotopic Mass:
201.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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