2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol

C9H13N3O3S — CID 62252510

IUPAC2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol
SMILESNNc1ccc(CSCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3S/c10-11-8-2-1-7(6-16-4-3-13)5-9(8)12(14)15/h1-2,5,11,13H,3-4,6,10H2
InChIKeyAGXJVXSJXDSJIL-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.11
Rot. Bonds6

About 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol

2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol (PubChem CID 62252510) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol
PubChem CID62252510
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol
SMILESNNc1ccc(CSCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3S/c10-11-8-2-1-7(6-16-4-3-13)5-9(8)12(14)15/h1-2,5,11,13H,3-4,6,10H2
InChIKeyAGXJVXSJXDSJIL-UHFFFAOYSA-N
XLogP1.11
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[(4-amino-3-nitrophenyl)methylsulfanyl]ethanol
CID 62188441
[4-(2-methylbutylsulfanylmethyl)-2-nitrophenyl]hydrazine
CID 107756756
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethanol
CID 43502604
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
CID 62252511
2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]phenol
CID 62250094
[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
CID 106495807
3-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 62884570
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
4-hydrazinyl-3-nitrobenzenethiol
CID 130955422

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol (CID 62252510) is 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol is NNc1ccc(CSCCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol?
The InChIKey is AGXJVXSJXDSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-11-8-2-1-7(6-16-4-3-13)5-9(8)12(14)15/h1-2,5,11,13H,3-4,6,10H2.
What are the key properties of 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol?
2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol has a molecular weight of 243.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol is sourced from PubChem (CID 62252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).