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13489-07-1 | 2H-1,3-Thiazine-2,4(3H)-dithione, dihydro-5-(phenylazo)-
CAS No: 13489-07-1 Catalog No: AG007LQ2 MDL No:
Product Description
Catalog Number:
AG007LQ2
Chemical Name:
2H-1,3-Thiazine-2,4(3H)-dithione, dihydro-5-(phenylazo)-
CAS Number:
13489-07-1
Molecular Formula:
C10H9N3S3
Molecular Weight:
267.3936
IUPAC Name:
5-phenyldiazenyl-1,3-thiazinane-2,4-dithione
InChI:
InChI=1S/C10H9N3S3/c14-9-8(6-16-10(15)11-9)13-12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,14,15)
InChI Key:
YJJWKZHRLWVFSQ-UHFFFAOYSA-N
SMILES:
S=C1NC(=S)SCC1N=Nc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.383g/mol
Monoisotopic Mass:
266.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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