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27943-30-2 | 7-METHYL-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
CAS No: 27943-30-2 Catalog No: AG01BSM3 MDL No:MFCD01569142
Product Description
Catalog Number:
AG01BSM3
Chemical Name:
7-METHYL-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
CAS Number:
27943-30-2
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD01569142
IUPAC Name:
7-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C10H11NOS/c1-7-2-3-9-8(6-7)11-10(12)4-5-13-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
VXYANQYUGDLKPA-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c(N1)cc(C)cc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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