Home Other Building Blocks 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride (1:1)

1,4-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride (1:1)

CAS No.:
14953-97-0
Catalog Number:
AG001LT9
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
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Product Description
Catalog Number:
AG001LT9
Chemical Name:
1,4-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride (1:1)
CAS Number:
14953-97-0
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
MDL Number:
MFCD22205718
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzothiazepine;hydrochloride
InChI:
InChI=1S/C9H11NS.ClH/c1-2-4-9-8(3-1)7-10-5-6-11-9;/h1-4,10H,5-7H2;1H
InChI Key:
MHQHPDMXJONCGP-UHFFFAOYSA-N
SMILES:
C1CSc2c(CN1)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
Properties