2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol

C9H13N3O3S — CID 62252511

IUPAC2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
SMILESNNc1ccc([N+](=O)[O-])cc1CSCCO
InChIInChI=1S/C9H13N3O3S/c10-11-9-2-1-8(12(14)15)5-7(9)6-16-4-3-13/h1-2,5,11,13H,3-4,6,10H2
InChIKeyOMSOTSZPDUPFMC-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.11
Rot. Bonds6

About 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol

2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol (PubChem CID 62252511) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
PubChem CID62252511
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
SMILESNNc1ccc([N+](=O)[O-])cc1CSCCO
InChIInChI=1S/C9H13N3O3S/c10-11-9-2-1-8(12(14)15)5-7(9)6-16-4-3-13/h1-2,5,11,13H,3-4,6,10H2
InChIKeyOMSOTSZPDUPFMC-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-[[5-nitro-2-(propylamino)phenyl]methylsulfanyl]ethanol
CID 62190026
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 114234608
2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol
CID 62252510
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
CID 55050904
2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetamide
CID 114231396
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
N-methyl-4-nitro-2-(pentylsulfanylmethyl)aniline
CID 107756459
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62245269
methyl 2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetate
CID 62188956
2-hydrazinyl-5-nitroaniline
CID 130769325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol (CID 62252511) is 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol is NNc1ccc([N+](=O)[O-])cc1CSCCO.
What is the InChIKey of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol?
The InChIKey is OMSOTSZPDUPFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-11-9-2-1-8(12(14)15)5-7(9)6-16-4-3-13/h1-2,5,11,13H,3-4,6,10H2.
What are the key properties of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol?
2-[(2-hydrazinyl-5-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-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol is sourced from PubChem (CID 62252511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).