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337928-19-5 | (Z)-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-phenylmethanecarbohydrazonoyl cyanide
CAS No: 337928-19-5 Catalog No: AG00IMTT MDL No:MFCD00139214
Product Description
Catalog Number:
AG00IMTT
Chemical Name:
(Z)-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-phenylmethanecarbohydrazonoyl cyanide
CAS Number:
337928-19-5
Molecular Formula:
C13H9N5O2S2
Molecular Weight:
331.3729
MDL Number:
MFCD00139214
IUPAC Name:
N-anilino-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]methanimidoyl cyanide
InChI:
InChI=1S/C13H9N5O2S2/c1-9-11(7-14)13(18-21-9)22(19,20)12(8-15)17-16-10-5-3-2-4-6-10/h2-6,16H,1H3
InChI Key:
COSPWTAAFRFUFT-UHFFFAOYSA-N
SMILES:
N#C/C(=N/Nc1ccccc1)/S(=O)(=O)c1nsc(c1C#N)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.02g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.368g/mol
Monoisotopic Mass:
331.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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