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188836-28-4 | 2,3-Pentadienimidothioic acid, 4-methyl-N-phenyl-, methyl ester
CAS No: 188836-28-4 Catalog No: AG002HE9 MDL No:
Product Description
Catalog Number:
AG002HE9
Chemical Name:
2,3-Pentadienimidothioic acid, 4-methyl-N-phenyl-, methyl ester
CAS Number:
188836-28-4
Molecular Formula:
C13H15NS
Molecular Weight:
217.3299
IUPAC Name:
methyl 4-methyl-N-phenylpenta-2,3-dienimidothioate
InChI:
InChI=1S/C13H15NS/c1-11(2)9-10-13(15-3)14-12-7-5-4-6-8-12/h4-8,10H,1-3H3
InChI Key:
TWFUQPJJXFQDON-UHFFFAOYSA-N
SMILES:
CSC(=Nc1ccccc1)C=C=C(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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