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866134-20-5 | N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CAS No: 866134-20-5 Catalog No: AG00IS0I MDL No:MFCD03848703
Product Description
Catalog Number:
AG00IS0I
Chemical Name:
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CAS Number:
866134-20-5
Molecular Formula:
C9H14N2O2S2
Molecular Weight:
246.3497
MDL Number:
MFCD03848703
IUPAC Name:
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
InChI:
InChI=1S/C9H14N2O2S2/c1-11(15(2,12)13)9-10-7-5-3-4-6-8(7)14-9/h3-6H2,1-2H3
InChI Key:
KKIHZYSQJRUSRG-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)C)c1nc2c(s1)CCCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.343g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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