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101870-28-4 | 6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS No: 101870-28-4 Catalog No: AG01A8RR MDL No:MFCD11632139
Product Description
Catalog Number:
AG01A8RR
Chemical Name:
6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS Number:
101870-28-4
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD11632139
IUPAC Name:
6-methyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H11NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h5H,2-4H2,1H3,(H,9,10)
InChI Key:
VPMKHVJBRIMNFB-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)sc(=O)[nH]2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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