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63870-01-9 | 4-Methyl-1,5-benzothiazepin-2(3H)-one
CAS No: 63870-01-9 Catalog No: AG00F6BV MDL No:
Product Description
Catalog Number:
AG00F6BV
Chemical Name:
4-Methyl-1,5-benzothiazepin-2(3H)-one
CAS Number:
63870-01-9
IUPAC Name:
4-methyl-3H-1,5-benzothiazepin-2-one
InChI:
InChI=1S/C10H9NOS/c1-7-6-10(12)13-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3
InChI Key:
CSWLHQJEBGLHMJ-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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