2-hydrazinyl-6-nitrobenzenethiol

C6H7N3O2S — CID 130775094

IUPAC2-hydrazinyl-6-nitrobenzenethiol
SMILESNNc1cccc([N+](=O)[O-])c1S
InChIInChI=1S/C6H7N3O2S/c7-8-4-2-1-3-5(6(4)12)9(10)11/h1-3,8,12H,7H2
InChIKeyXLECSYWTTHEVEV-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.17
Rot. Bonds2

About 2-hydrazinyl-6-nitrobenzenethiol

2-hydrazinyl-6-nitrobenzenethiol (PubChem CID 130775094) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-hydrazinyl-6-nitrobenzenethiol.

Molecular Properties

Compound Name2-hydrazinyl-6-nitrobenzenethiol
PubChem CID130775094
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-hydrazinyl-6-nitrobenzenethiol
SMILESNNc1cccc([N+](=O)[O-])c1S
InChIInChI=1S/C6H7N3O2S/c7-8-4-2-1-3-5(6(4)12)9(10)11/h1-3,8,12H,7H2
InChIKeyXLECSYWTTHEVEV-UHFFFAOYSA-N
XLogP1.17
TPSA81.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethyl)-3-nitrophenyl]hydrazine
CID 118803452
4-hydrazinyl-3-nitrobenzenethiol
CID 130955422
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
3-nitro-2-sulfanylbenzonitrile
CID 91874106
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine
CID 175236221
bis(4-hydroxyphenyl)methanone;(2-nitrophenyl)hydrazine
CID 67839586
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
hydrazine;1,2,3-trinitrobenzene
CID 174855794
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-nitrobenzenethiol?
The IUPAC name of 2-hydrazinyl-6-nitrobenzenethiol (CID 130775094) is 2-hydrazinyl-6-nitrobenzenethiol.
What is the SMILES notation for 2-hydrazinyl-6-nitrobenzenethiol?
The canonical SMILES for 2-hydrazinyl-6-nitrobenzenethiol is NNc1cccc([N+](=O)[O-])c1S.
What is the InChIKey of 2-hydrazinyl-6-nitrobenzenethiol?
The InChIKey is XLECSYWTTHEVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-8-4-2-1-3-5(6(4)12)9(10)11/h1-3,8,12H,7H2.
What are the key properties of 2-hydrazinyl-6-nitrobenzenethiol?
2-hydrazinyl-6-nitrobenzenethiol has a molecular weight of 185.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-nitrobenzenethiol is sourced from PubChem (CID 130775094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).