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89806-05-3 | Hydrazinecarbodithioic acid, (4-pyridinylmethylene)-, ethyl ester
CAS No: 89806-05-3 Catalog No: AG003YAB MDL No:
Product Description
Catalog Number:
AG003YAB
Chemical Name:
Hydrazinecarbodithioic acid, (4-pyridinylmethylene)-, ethyl ester
CAS Number:
89806-05-3
Molecular Formula:
C9H11N3S2
Molecular Weight:
225.3337
IUPAC Name:
ethyl N-(pyridin-4-ylmethylideneamino)carbamodithioate
InChI:
InChI=1S/C9H11N3S2/c1-2-14-9(13)12-11-7-8-3-5-10-6-4-8/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
BJISPCNATZNNDF-UHFFFAOYSA-N
SMILES:
CCSC(=S)NN=Cc1ccncc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.328g/mol
Monoisotopic Mass:
225.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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