3-hydrazinylpropane-1-thiol

C3H10N2S — CID 54156855

IUPAC3-hydrazinylpropane-1-thiol
SMILESNNCCCS
InChIInChI=1S/C3H10N2S/c4-5-2-1-3-6/h5-6H,1-4H2
InChIKeyDAFSKBWCKWEZGY-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.23
Rot. Bonds3

About 3-hydrazinylpropane-1-thiol

3-hydrazinylpropane-1-thiol (PubChem CID 54156855) has the molecular formula C3H10N2S and a molecular weight of 106.19 g/mol. Its IUPAC name is 3-hydrazinylpropane-1-thiol.

Molecular Properties

Compound Name3-hydrazinylpropane-1-thiol
PubChem CID54156855
Molecular FormulaC3H10N2S
Molecular Weight106.19 g/mol
Exact Mass106.06
IUPAC Name3-hydrazinylpropane-1-thiol
SMILESNNCCCS
InChIInChI=1S/C3H10N2S/c4-5-2-1-3-6/h5-6H,1-4H2
InChIKeyDAFSKBWCKWEZGY-UHFFFAOYSA-N
XLogP-0.23
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydrazinylpropane-1-thiol
CID 12731764
2-Hydrazinylethanethiol
CID 12457063
Pyrazolidine-4-thiol
CID 19939944
2-(2-Hydrazinylethyldisulfanyl)ethanamine
CID 54043672
(2R)-2-hydrazinylpropane-1-thiol
CID 89010992
(2-Ethylhydrazinyl)methanethiol
CID 89211258
2-(2-Ethylhydrazinyl)ethanethiol
CID 89211261
(2R)-1-hydrazinylpropane-2-thiol
CID 89412211
1-(Diazonioamino)-2-sulfanylethane
CID 118467512
3-(2-Methylhydrazinyl)butane-1-thiol
CID 123273187
1-Hydrazinylethane-1,2-dithiol
CID 123824831
2-[2-[2-(Methyldisulfanyl)ethyl]hydrazinyl]ethanethiol
CID 126655685

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylpropane-1-thiol?
The IUPAC name of 3-hydrazinylpropane-1-thiol (CID 54156855) is 3-hydrazinylpropane-1-thiol.
What is the SMILES notation for 3-hydrazinylpropane-1-thiol?
The canonical SMILES for 3-hydrazinylpropane-1-thiol is NNCCCS.
What is the InChIKey of 3-hydrazinylpropane-1-thiol?
The InChIKey is DAFSKBWCKWEZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S/c4-5-2-1-3-6/h5-6H,1-4H2.
What are the key properties of 3-hydrazinylpropane-1-thiol?
3-hydrazinylpropane-1-thiol has a molecular weight of 106.19 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylpropane-1-thiol is sourced from PubChem (CID 54156855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).