2-pentylsulfanylacetohydrazide

C7H16N2OS — CID 107760927

IUPAC2-pentylsulfanylacetohydrazide
SMILESCCCCCSCC(=O)NN
InChIInChI=1S/C7H16N2OS/c1-2-3-4-5-11-6-7(10)9-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyGJKCDTCKYKNWJY-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.90
Rot. Bonds6

About 2-pentylsulfanylacetohydrazide

2-pentylsulfanylacetohydrazide (PubChem CID 107760927) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-pentylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-pentylsulfanylacetohydrazide
PubChem CID107760927
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-pentylsulfanylacetohydrazide
SMILESCCCCCSCC(=O)NN
InChIInChI=1S/C7H16N2OS/c1-2-3-4-5-11-6-7(10)9-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyGJKCDTCKYKNWJY-UHFFFAOYSA-N
XLogP0.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentylsulfanylbutanehydrazide
CID 107760917
11-octadecylsulfanylundecanehydrazide
CID 18183822
N-butyl-2-octylsulfanylacetamide
CID 4583267
4-butylsulfanylbutanehydrazide
CID 63582322
methyl 2-hexylsulfanylacetate
CID 12820437
N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
CID 87966580
2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724054
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
2-(2-aminoethylsulfanyl)-N-pentylacetamide
CID 84556648
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
tetrakis(2-decylsulfanylacetate);tin(4+)
CID 162242326

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfanylacetohydrazide?
The IUPAC name of 2-pentylsulfanylacetohydrazide (CID 107760927) is 2-pentylsulfanylacetohydrazide.
What is the SMILES notation for 2-pentylsulfanylacetohydrazide?
The canonical SMILES for 2-pentylsulfanylacetohydrazide is CCCCCSCC(=O)NN.
What is the InChIKey of 2-pentylsulfanylacetohydrazide?
The InChIKey is GJKCDTCKYKNWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-2-3-4-5-11-6-7(10)9-8/h2-6,8H2,1H3,(H,9,10).
What are the key properties of 2-pentylsulfanylacetohydrazide?
2-pentylsulfanylacetohydrazide has a molecular weight of 176.28 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanylacetohydrazide is sourced from PubChem (CID 107760927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).