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87904-85-6 | 2H-1,4-Thiazin-3(4H)-one, 2-(1-methylethoxy)-4-(1-methylethyl)-
CAS No: 87904-85-6 Catalog No: AG004FFJ MDL No:
Product Description
Catalog Number:
AG004FFJ
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 2-(1-methylethoxy)-4-(1-methylethyl)-
CAS Number:
87904-85-6
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
IUPAC Name:
4-propan-2-yl-2-propan-2-yloxy-1,4-thiazin-3-one
InChI:
InChI=1S/C10H17NO2S/c1-7(2)11-5-6-14-10(9(11)12)13-8(3)4/h5-8,10H,1-4H3
InChI Key:
NFTZPTYOONEWQT-UHFFFAOYSA-N
SMILES:
CC(OC1SC=CN(C1=O)C(C)C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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