1-(thiolan-3-yl)prop-2-enylhydrazine

C7H14N2S — CID 105318136

IUPAC1-(thiolan-3-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CCSC1
InChIInChI=1S/C7H14N2S/c1-2-7(9-8)6-3-4-10-5-6/h2,6-7,9H,1,3-5,8H2
InChIKeyTTXWRYHTBDIADH-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.76
Rot. Bonds3

About 1-(thiolan-3-yl)prop-2-enylhydrazine

1-(thiolan-3-yl)prop-2-enylhydrazine (PubChem CID 105318136) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(thiolan-3-yl)prop-2-enylhydrazine.

Molecular Properties

Compound Name1-(thiolan-3-yl)prop-2-enylhydrazine
PubChem CID105318136
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(thiolan-3-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CCSC1
InChIInChI=1S/C7H14N2S/c1-2-7(9-8)6-3-4-10-5-6/h2,6-7,9H,1,3-5,8H2
InChIKeyTTXWRYHTBDIADH-UHFFFAOYSA-N
XLogP0.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctylprop-2-enylhydrazine
CID 105255011
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)prop-2-enylhydrazine
CID 105317965
[4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 105294315
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
[2-propan-2-yloxy-1-(thiolan-3-yl)ethyl]hydrazine
CID 105323843
1-(thiolan-3-yl)hex-5-ynylhydrazine
CID 105333543
[(4-chlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105281249
O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine
CID 115013059
N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
[4-methoxy-4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 103026447
chloro(thiolan-3-yl)methanesulfonyl chloride
CID 105495676

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)prop-2-enylhydrazine?
The IUPAC name of 1-(thiolan-3-yl)prop-2-enylhydrazine (CID 105318136) is 1-(thiolan-3-yl)prop-2-enylhydrazine.
What is the SMILES notation for 1-(thiolan-3-yl)prop-2-enylhydrazine?
The canonical SMILES for 1-(thiolan-3-yl)prop-2-enylhydrazine is C=CC(NN)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)prop-2-enylhydrazine?
The InChIKey is TTXWRYHTBDIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-7(9-8)6-3-4-10-5-6/h2,6-7,9H,1,3-5,8H2.
What are the key properties of 1-(thiolan-3-yl)prop-2-enylhydrazine?
1-(thiolan-3-yl)prop-2-enylhydrazine has a molecular weight of 158.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)prop-2-enylhydrazine is sourced from PubChem (CID 105318136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).