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849414-25-1 | 3-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]-1,3-thiazinane-2-thione
CAS No: 849414-25-1 Catalog No: AG01EXRW MDL No:
Product Description
Catalog Number:
AG01EXRW
Chemical Name:
3-[1-(1H-1,2,3-Benzotriazol-1-yl)propyl]-1,3-thiazinane-2-thione
CAS Number:
849414-25-1
Molecular Formula:
C13H16N4S2
Molecular Weight:
292.4229
IUPAC Name:
3-[1-(benzotriazol-1-yl)propyl]-1,3-thiazinane-2-thione
InChI:
InChI=1S/C13H16N4S2/c1-2-12(16-8-5-9-19-13(16)18)17-11-7-4-3-6-10(11)14-15-17/h3-4,6-7,12H,2,5,8-9H2,1H3
InChI Key:
IGURAIVGECUQGU-UHFFFAOYSA-N
SMILES:
CCC(n1nnc2c1cccc2)N1CCCSC1=S
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.419g/mol
Monoisotopic Mass:
292.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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