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313544-09-1 | 9-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS No: 313544-09-1 Catalog No: AG01BPGK MDL No:MFCD30500223
Product Description
Catalog Number:
AG01BPGK
Chemical Name:
9-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CAS Number:
313544-09-1
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD30500223
IUPAC Name:
9-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
InChI:
InChI=1S/C10H13NS/c1-8-4-2-5-9-10(8)12-7-3-6-11-9/h2,4-5,11H,3,6-7H2,1H3
InChI Key:
WZOIKSSQLGLNGO-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1SCCCN2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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