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Home > Thiazole > 1354961-46-8
1354961-46-8 | 2,3,4,5-tetrahydro-1,5-benzothiazepin-1-one
CAS No: 1354961-46-8 Catalog No: AG019SDH MDL No:MFCD20502047
Product Description
Catalog Number:
AG019SDH
Chemical Name:
2,3,4,5-tetrahydro-1,5-benzothiazepin-1-one
CAS Number:
1354961-46-8
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD20502047
IUPAC Name:
2,3,4,5-tetrahydro-1λ4,5-benzothiazepine 1-oxide
InChI:
InChI=1S/C9H11NOS/c11-12-7-3-6-10-8-4-1-2-5-9(8)12/h1-2,4-5,10H,3,6-7H2
InChI Key:
CBTQEZPNHUSSIL-UHFFFAOYSA-N
SMILES:
O=S1CCCNc2c1cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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