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89806-07-5 | Hydrazinecarbodithioic acid, (4-pyridinylmethylene)-, butyl ester
CAS No: 89806-07-5 Catalog No: AG003ZHF MDL No:
Product Description
Catalog Number:
AG003ZHF
Chemical Name:
Hydrazinecarbodithioic acid, (4-pyridinylmethylene)-, butyl ester
CAS Number:
89806-07-5
Molecular Formula:
C11H15N3S2
Molecular Weight:
253.3869
IUPAC Name:
butyl N-(pyridin-4-ylmethylideneamino)carbamodithioate
InChI:
InChI=1S/C11H15N3S2/c1-2-3-8-16-11(15)14-13-9-10-4-6-12-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChI Key:
XKVUATFJOFZGRL-UHFFFAOYSA-N
SMILES:
CCCCSC(=S)NN=Cc1ccncc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.382g/mol
Monoisotopic Mass:
253.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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