1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine

C8H14N2S — CID 105315651

IUPAC1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1(C)CCCS1
InChIInChI=1S/C8H14N2S/c1-3-7(10-9)8(2)5-4-6-11-8/h1,7,10H,4-6,9H2,2H3
InChIKeyUFEVXIHRJQCRSH-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.74
Rot. Bonds2

About 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine

1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine (PubChem CID 105315651) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine
PubChem CID105315651
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1(C)CCCS1
InChIInChI=1S/C8H14N2S/c1-3-7(10-9)8(2)5-4-6-11-8/h1,7,10H,4-6,9H2,2H3
InChIKeyUFEVXIHRJQCRSH-UHFFFAOYSA-N
XLogP0.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-methyl-1-(2-methylthiolan-2-yl)prop-2-yn-1-amine
CID 105158370
[2-methyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105281773
1-(2-methylthiolan-2-yl)prop-2-enylhydrazine
CID 105318107
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
CID 105077554
[3-cyclopropyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105315206
[2-methyl-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 107895936
[4,4-dimethyl-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 105300099
1-(1-methoxycyclopentyl)prop-2-ynylhydrazine
CID 105268683
1-(1-methoxycyclohexyl)prop-2-ynylhydrazine
CID 105276008
[3-methylidene-1-(2-methylthiolan-2-yl)pentyl]hydrazine
CID 105320436
[(2-methylthiolan-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341728
[(2-methylthiolan-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105312067

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine?
The IUPAC name of 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine (CID 105315651) is 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine is C#CC(NN)C1(C)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine?
The InChIKey is UFEVXIHRJQCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-7(10-9)8(2)5-4-6-11-8/h1,7,10H,4-6,9H2,2H3.
What are the key properties of 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine?
1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine has a molecular weight of 170.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).