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7420-37-3 | Hydrazinecarbothioamide, 2-[(3-hydroxyphenyl)methylene]-
CAS No: 7420-37-3 Catalog No: AG005DDT MDL No:
Product Description
Catalog Number:
AG005DDT
Chemical Name:
Hydrazinecarbothioamide, 2-[(3-hydroxyphenyl)methylene]-
CAS Number:
7420-37-3
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
IUPAC Name:
[(3-hydroxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-2-1-3-7(12)4-6/h1-5,12H,(H3,9,11,13)
InChI Key:
OUKYJMFNAHUPKE-UHFFFAOYSA-N
SMILES:
NC(=S)NN=Cc1cccc(c1)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 3-{2-[2-(3-Hy-droxy-benzyl-idene)hydrazin-1-yl]-1,3-thia-zol-4-yl}-2H-chromen-2-one hemihydrate. | Acta crystallographica. Section E, Structure reports online 20100601 |
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