3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide

C8H18N4O2S2 — CID 140969773

IUPAC3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
SMILESCC(SCCC(=O)NN)SCCC(=O)NN
InChIInChI=1S/C8H18N4O2S2/c1-6(15-4-2-7(13)11-9)16-5-3-8(14)12-10/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeySFRQOUKZCXWHLE-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.44
Rot. Bonds8

About 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide

3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide (PubChem CID 140969773) has the molecular formula C8H18N4O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
PubChem CID140969773
Molecular FormulaC8H18N4O2S2
Molecular Weight266.39 g/mol
Exact Mass266.09
IUPAC Name3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
SMILESCC(SCCC(=O)NN)SCCC(=O)NN
InChIInChI=1S/C8H18N4O2S2/c1-6(15-4-2-7(13)11-9)16-5-3-8(14)12-10/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeySFRQOUKZCXWHLE-UHFFFAOYSA-N
XLogP-0.44
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutan-2-ylsulfanyl)propanehydrazide
CID 107760969
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
CID 66227651
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
11-octadecylsulfanylundecanehydrazide
CID 18183822
hexanedihydrazide;pentanedihydrazide
CID 157195533
butanedihydrazide;hydrochloride
CID 54607274
methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
CID 63580489
4-butylsulfanylbutanehydrazide
CID 63582322
3-methylhexanedihydrazide
CID 141312622

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The IUPAC name of 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide (CID 140969773) is 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide.
What is the SMILES notation for 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The canonical SMILES for 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide is CC(SCCC(=O)NN)SCCC(=O)NN.
What is the InChIKey of 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
The InChIKey is SFRQOUKZCXWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S2/c1-6(15-4-2-7(13)11-9)16-5-3-8(14)12-10/h6H,2-5,9-10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide?
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide has a molecular weight of 266.39 g/mol, XLogP of -0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide is sourced from PubChem (CID 140969773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).