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823801-68-9 | 2H-1,4-Thiazine, 5,6-dihydro-2-(1-methylethyl)-
CAS No: 823801-68-9 Catalog No: AG008KBE MDL No:
Product Description
Catalog Number:
AG008KBE
Chemical Name:
2H-1,4-Thiazine, 5,6-dihydro-2-(1-methylethyl)-
CAS Number:
823801-68-9
Molecular Formula:
C7H13NS
Molecular Weight:
143.2498
IUPAC Name:
6-propan-2-yl-3,6-dihydro-2H-1,4-thiazine
InChI:
InChI=1S/C7H13NS/c1-6(2)7-5-8-3-4-9-7/h5-7H,3-4H2,1-2H3
InChI Key:
BFFIQMPSFYBTRY-UHFFFAOYSA-N
SMILES:
CC(C1SCCN=C1)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.248g/mol
Monoisotopic Mass:
143.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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