2-phenylsulfanylacetohydrazide

C8H10N2OS — CID 7037418

IUPAC2-phenylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1
InChIInChI=1S/C8H10N2OS/c9-10-8(11)6-12-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyAEKHWCLEQBFOIS-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.77
Rot. Bonds3

About 2-phenylsulfanylacetohydrazide

2-phenylsulfanylacetohydrazide (PubChem CID 7037418) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-phenylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-phenylsulfanylacetohydrazide
PubChem CID7037418
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-phenylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1
InChIInChI=1S/C8H10N2OS/c9-10-8(11)6-12-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyAEKHWCLEQBFOIS-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenylmethoxy-2-phenylsulfanylacetamide
CID 47095881
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
CID 65193463

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylacetohydrazide?
The IUPAC name of 2-phenylsulfanylacetohydrazide (CID 7037418) is 2-phenylsulfanylacetohydrazide.
What is the SMILES notation for 2-phenylsulfanylacetohydrazide?
The canonical SMILES for 2-phenylsulfanylacetohydrazide is NNC(=O)CSc1ccccc1.
What is the InChIKey of 2-phenylsulfanylacetohydrazide?
The InChIKey is AEKHWCLEQBFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-10-8(11)6-12-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11).
What are the key properties of 2-phenylsulfanylacetohydrazide?
2-phenylsulfanylacetohydrazide has a molecular weight of 182.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylacetohydrazide is sourced from PubChem (CID 7037418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).