1-propylsulfanylhex-4-yn-2-ylhydrazine

C9H18N2S — CID 105225669

IUPAC1-propylsulfanylhex-4-yn-2-ylhydrazine
SMILESCC#CCC(CSCCC)NN
InChIInChI=1S/C9H18N2S/c1-3-5-6-9(11-10)8-12-7-4-2/h9,11H,4,6-8,10H2,1-2H3
InChIKeyCWWFYRNLPQAPCU-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.37
Rot. Bonds6

About 1-propylsulfanylhex-4-yn-2-ylhydrazine

1-propylsulfanylhex-4-yn-2-ylhydrazine (PubChem CID 105225669) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-propylsulfanylhex-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-propylsulfanylhex-4-yn-2-ylhydrazine
PubChem CID105225669
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-propylsulfanylhex-4-yn-2-ylhydrazine
SMILESCC#CCC(CSCCC)NN
InChIInChI=1S/C9H18N2S/c1-3-5-6-9(11-10)8-12-7-4-2/h9,11H,4,6-8,10H2,1-2H3
InChIKeyCWWFYRNLPQAPCU-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanylhex-4-yn-2-ylhydrazine
CID 105213837
1-propylsulfanyldecan-2-ylhydrazine
CID 105225668
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
(5-methoxy-1-propylsulfanylpentan-2-yl)hydrazine
CID 105225805
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine
CID 105259171
[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225778
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225793
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
N-methylhept-5-yn-3-amine
CID 62309993

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylhex-4-yn-2-ylhydrazine?
The IUPAC name of 1-propylsulfanylhex-4-yn-2-ylhydrazine (CID 105225669) is 1-propylsulfanylhex-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-propylsulfanylhex-4-yn-2-ylhydrazine?
The canonical SMILES for 1-propylsulfanylhex-4-yn-2-ylhydrazine is CC#CCC(CSCCC)NN.
What is the InChIKey of 1-propylsulfanylhex-4-yn-2-ylhydrazine?
The InChIKey is CWWFYRNLPQAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-5-6-9(11-10)8-12-7-4-2/h9,11H,4,6-8,10H2,1-2H3.
What are the key properties of 1-propylsulfanylhex-4-yn-2-ylhydrazine?
1-propylsulfanylhex-4-yn-2-ylhydrazine has a molecular weight of 186.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylhex-4-yn-2-ylhydrazine is sourced from PubChem (CID 105225669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).