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19197-44-5 | 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2-methyl-
CAS No: 19197-44-5 Catalog No: AG002FKI MDL No:MFCD06655138
Product Description
Catalog Number:
AG002FKI
Chemical Name:
1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2-methyl-
CAS Number:
19197-44-5
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD06655138
IUPAC Name:
2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
InChI:
InChI=1S/C10H13NS/c1-8-6-7-11-9-4-2-3-5-10(9)12-8/h2-5,8,11H,6-7H2,1H3
InChI Key:
ONDQDOJJBDXTPY-UHFFFAOYSA-N
SMILES:
CC1CCNc2c(S1)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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