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77831-94-8 | 4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(1-methylethylidene)-
CAS No: 77831-94-8 Catalog No: AG005RKO MDL No:
Product Description
Catalog Number:
AG005RKO
Chemical Name:
4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(1-methylethylidene)-
CAS Number:
77831-94-8
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
6-methyl-2-propan-2-ylidene-1,3-thiazin-4-one
InChI:
InChI=1S/C8H11NOS/c1-5(2)8-9-7(10)4-6(3)11-8/h4H,1-3H3,(H,9,10)
InChI Key:
ONYDHHUXJYYHFC-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(=C(C)C)s1
Properties
Complexity:
249
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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