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1603010-85-0 | 6-methoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS No: 1603010-85-0 Catalog No: AG01BPGI MDL No:MFCD29987712
Product Description
Catalog Number:
AG01BPGI
Chemical Name:
6-methoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS Number:
1603010-85-0
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
MDL Number:
MFCD29987712
IUPAC Name:
6-methoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
InChI:
InChI=1S/C10H13NOS/c1-12-8-4-2-5-9-10(8)11-6-3-7-13-9/h2,4-5,11H,3,6-7H2,1H3
InChI Key:
PFZPPTBNHSRXBN-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NCCCS2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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