1-(2-hydrazinylethylsulfanyl)propan-2-one

C5H12N2OS — CID 162764545

IUPAC1-(2-hydrazinylethylsulfanyl)propan-2-one
SMILESCC(=O)CSCCNN
InChIInChI=1S/C5H12N2OS/c1-5(8)4-9-3-2-7-6/h7H,2-4,6H2,1H3
InChIKeyHRIBODNUZSOYLZ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.23
Rot. Bonds5

About 1-(2-hydrazinylethylsulfanyl)propan-2-one

1-(2-hydrazinylethylsulfanyl)propan-2-one (PubChem CID 162764545) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-(2-hydrazinylethylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(2-hydrazinylethylsulfanyl)propan-2-one
PubChem CID162764545
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-(2-hydrazinylethylsulfanyl)propan-2-one
SMILESCC(=O)CSCCNN
InChIInChI=1S/C5H12N2OS/c1-5(8)4-9-3-2-7-6/h7H,2-4,6H2,1H3
InChIKeyHRIBODNUZSOYLZ-UHFFFAOYSA-N
XLogP-0.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-(2-fluoroethylsulfanyl)propan-2-one
CID 84648281
3-(2-oxopropylsulfanyl)propanoic acid
CID 12024482
1-pent-3-ynylsulfanylpropan-2-one
CID 130692056
1-hydrazinylpropan-2-one
CID 18717161
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide
CID 168915519
1-[3-amino-3-hydroxy-2-(methylamino)propyl]sulfanylpropan-2-one
CID 139333863
1-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl]sulfanylpropan-2-one
CID 88529215
2-[2-(2-methoxypropanoylamino)ethylsulfanyl]acetic acid
CID 115731510
N-[2-(2-oxobutylsulfanyl)ethyl]propanamide
CID 166556003
2-pentylsulfanylacetohydrazide
CID 107760927
N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 153346647

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinylethylsulfanyl)propan-2-one?
The IUPAC name of 1-(2-hydrazinylethylsulfanyl)propan-2-one (CID 162764545) is 1-(2-hydrazinylethylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(2-hydrazinylethylsulfanyl)propan-2-one?
The canonical SMILES for 1-(2-hydrazinylethylsulfanyl)propan-2-one is CC(=O)CSCCNN.
What is the InChIKey of 1-(2-hydrazinylethylsulfanyl)propan-2-one?
The InChIKey is HRIBODNUZSOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-5(8)4-9-3-2-7-6/h7H,2-4,6H2,1H3.
What are the key properties of 1-(2-hydrazinylethylsulfanyl)propan-2-one?
1-(2-hydrazinylethylsulfanyl)propan-2-one has a molecular weight of 148.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylethylsulfanyl)propan-2-one is sourced from PubChem (CID 162764545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).