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26158-47-4 | Hydrazinecarbodithioic acid, 2-[1-(2-pyridinyl)ethylidene]-, phenylmethyl ester
CAS No: 26158-47-4 Catalog No: AG002RW8 MDL No:
Product Description
Catalog Number:
AG002RW8
Chemical Name:
Hydrazinecarbodithioic acid, 2-[1-(2-pyridinyl)ethylidene]-, phenylmethyl ester
CAS Number:
26158-47-4
Molecular Formula:
C15H15N3S2
Molecular Weight:
301.4297
IUPAC Name:
benzyl N-[(E)-1-pyridin-2-ylethylideneamino]carbamodithioate
InChI:
InChI=1S/C15H15N3S2/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)/b17-12+
InChI Key:
GAPPGYVPJUGIHP-SFQUDFHCSA-N
SMILES:
S=C(NN=C(c1ccccn1)C)SCc1ccccc1
NSC Number:
295641
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
301.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.426g/mol
Monoisotopic Mass:
301.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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