2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol

C8H11N3O3S — CID 80921240

IUPAC2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
SMILESNNc1cc(SCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H11N3O3S/c9-10-6-3-7(11(13)14)5-8(4-6)15-2-1-12/h3-5,10,12H,1-2,9H2
InChIKeyGMGGWKSFPLCPHF-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol

2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol (PubChem CID 80921240) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
PubChem CID80921240
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
SMILESNNc1cc(SCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H11N3O3S/c9-10-6-3-7(11(13)14)5-8(4-6)15-2-1-12/h3-5,10,12H,1-2,9H2
InChIKeyGMGGWKSFPLCPHF-UHFFFAOYSA-N
XLogP0.96
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-hydrazinyl-5-nitrophenyl)sulfanylacetate
CID 80922757
3-[3-(methylamino)-5-nitrophenyl]sulfanylpropan-1-ol
CID 80890832
2-(3-methyl-5-nitrophenyl)sulfanylethanol
CID 112649391
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641635
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
(3-butan-2-ylsulfanyl-5-nitrophenyl)hydrazine
CID 80924770
N-ethyl-3-nitro-5-propylsulfanylaniline
CID 80888355
3-[2-(diethylamino)ethylsulfanyl]-N-methyl-5-nitroaniline
CID 80890196
3-[3-(methylamino)-5-nitrophenyl]sulfanylpropane-1,2-diol
CID 80895510
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine
CID 80928961

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol?
The IUPAC name of 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol (CID 80921240) is 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol.
What is the SMILES notation for 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol?
The canonical SMILES for 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol is NNc1cc(SCCO)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol?
The InChIKey is GMGGWKSFPLCPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-10-6-3-7(11(13)14)5-8(4-6)15-2-1-12/h3-5,10,12H,1-2,9H2.
What are the key properties of 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol?
2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol has a molecular weight of 229.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol is sourced from PubChem (CID 80921240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).