pentylhydrazine;sulfane

C5H16N2S — CID 158363875

IUPACpentylhydrazine;sulfane
SMILESCCCCCNN.S
InChIInChI=1S/C5H14N2.H2S/c1-2-3-4-5-7-6;/h7H,2-6H2,1H3;1H2
InChIKeyKCSSIVCVROBIQP-UHFFFAOYSA-N
MW136.26 g/mol
LogP0.75
Rot. Bonds4

About pentylhydrazine;sulfane

pentylhydrazine;sulfane (PubChem CID 158363875) has the molecular formula C5H16N2S and a molecular weight of 136.26 g/mol. Its IUPAC name is pentylhydrazine;sulfane.

Molecular Properties

Compound Namepentylhydrazine;sulfane
PubChem CID158363875
Molecular FormulaC5H16N2S
Molecular Weight136.26 g/mol
Exact Mass136.10
IUPAC Namepentylhydrazine;sulfane
SMILESCCCCCNN.S
InChIInChI=1S/C5H14N2.H2S/c1-2-3-4-5-7-6;/h7H,2-6H2,1H3;1H2
InChIKeyKCSSIVCVROBIQP-UHFFFAOYSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of pentylhydrazine;sulfane?
The IUPAC name of pentylhydrazine;sulfane (CID 158363875) is pentylhydrazine;sulfane.
What is the SMILES notation for pentylhydrazine;sulfane?
The canonical SMILES for pentylhydrazine;sulfane is CCCCCNN.S.
What is the InChIKey of pentylhydrazine;sulfane?
The InChIKey is KCSSIVCVROBIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.H2S/c1-2-3-4-5-7-6;/h7H,2-6H2,1H3;1H2.
What are the key properties of pentylhydrazine;sulfane?
pentylhydrazine;sulfane has a molecular weight of 136.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentylhydrazine;sulfane is sourced from PubChem (CID 158363875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).