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444791-13-3 | METHYL [(2-OXOBENZO[D]OXAZOL-3(2H)-YL)METHYL]CYANOCARBONIMIDODITHIOATE
CAS No: 444791-13-3 Catalog No: AG00DD7K MDL No:
Product Description
Catalog Number:
AG00DD7K
Chemical Name:
METHYL [(2-OXOBENZO[D]OXAZOL-3(2H)-YL)METHYL]CYANOCARBONIMIDODITHIOATE
CAS Number:
444791-13-3
IUPAC Name:
[methylsulfanyl-[(2-oxo-1,3-benzoxazol-3-yl)methylsulfanyl]methylidene]cyanamide
InChI:
InChI=1S/C11H9N3O2S2/c1-17-10(13-6-12)18-7-14-8-4-2-3-5-9(8)16-11(14)15/h2-5H,7H2,1H3
InChI Key:
JWFIPACGNKCQSU-UHFFFAOYSA-N
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.332g/mol
Monoisotopic Mass:
279.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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