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115214-90-9 | Hydrazinecarbothioamide, 2-[(2-hydroxy-3-methylphenyl)methylene]-
CAS No: 115214-90-9 Catalog No: AG000GGE MDL No:
Product Description
Catalog Number:
AG000GGE
Chemical Name:
Hydrazinecarbothioamide, 2-[(2-hydroxy-3-methylphenyl)methylene]-
CAS Number:
115214-90-9
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
IUPAC Name:
[(2-hydroxy-3-methylphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C9H11N3OS/c1-6-3-2-4-7(8(6)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)
InChI Key:
XGIQXPKOSMFKJX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1O)C=NNC(=S)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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