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Home > Thiazole > 1546169-99-6
1546169-99-6 | 7-methyl-2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1-dione
CAS No: 1546169-99-6 Catalog No: AG01BPGN MDL No:MFCD29961319
Product Description
Catalog Number:
AG01BPGN
Chemical Name:
7-methyl-2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1-dione
CAS Number:
1546169-99-6
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD29961319
IUPAC Name:
7-methyl-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
InChI:
InChI=1S/C10H13NO2S/c1-8-3-4-10-9(7-8)11-5-2-6-14(10,12)13/h3-4,7,11H,2,5-6H2,1H3
InChI Key:
ZLXUCWAGEKHQCY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NCCCS2(=O)=O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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