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20091-90-1 | Hydrazinecarbodithioic acid, 2-[2-methyl-3-(5-nitro-2-furanyl)-2-propen-1-ylidene]-, methyl ester
CAS No: 20091-90-1 Catalog No: AG002D31 MDL No:
Product Description
Catalog Number:
AG002D31
Chemical Name:
Hydrazinecarbodithioic acid, 2-[2-methyl-3-(5-nitro-2-furanyl)-2-propen-1-ylidene]-, methyl ester
CAS Number:
20091-90-1
Molecular Formula:
C10H11N3O3S2
Molecular Weight:
285.3426
IUPAC Name:
methyl N-[[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamodithioate
InChI:
InChI=1S/C10H11N3O3S2/c1-7(6-11-12-10(17)18-2)5-8-3-4-9(16-8)13(14)15/h3-6H,1-2H3,(H,12,17)
InChI Key:
XGADGZQRCNXVKW-UHFFFAOYSA-N
SMILES:
CSC(=S)NN=CC(=Cc1ccc(o1)[N+](=O)[O-])C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.336g/mol
Monoisotopic Mass:
285.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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