3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol

C5H15N3S — CID 170405976

IUPAC3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol
SMILESNCCNNCCCS
InChIInChI=1S/C5H15N3S/c6-2-4-8-7-3-1-5-9/h7-9H,1-6H2
InChIKeyISMWXCXSUMDLRU-UHFFFAOYSA-N
MW149.26 g/mol
LogP-0.64
Rot. Bonds6

About 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol

3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol (PubChem CID 170405976) has the molecular formula C5H15N3S and a molecular weight of 149.26 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol
PubChem CID170405976
Molecular FormulaC5H15N3S
Molecular Weight149.26 g/mol
Exact Mass149.10
IUPAC Name3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol
SMILESNCCNNCCCS
InChIInChI=1S/C5H15N3S/c6-2-4-8-7-3-1-5-9/h7-9H,1-6H2
InChIKeyISMWXCXSUMDLRU-UHFFFAOYSA-N
XLogP-0.64
TPSA50.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

bis(3-aminopropane-1-thiol);hydrate
CID 18625286
2-[2-(2-aminoethyl)hydrazinyl]ethanol
CID 87694422
13-[2-(3-aminopropyl)hydrazinyl]tridecan-1-amine
CID 18353517
5-(3-aminopropylamino)pentane-1-thiol
CID 71726582
6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
2-[2-(5-iminopentyl)hydrazinyl]ethanamine
CID 170288300
2-[2-[3-[dimethoxy(methyl)silyl]propyl]hydrazinyl]ethanamine
CID 139823284
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
3-(oxidoamino)propane-1-thiol
CID 141228134
6-aminohexane-1-thiol;hydrochloride
CID 22274759

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol?
The IUPAC name of 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol (CID 170405976) is 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol.
What is the SMILES notation for 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol?
The canonical SMILES for 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol is NCCNNCCCS.
What is the InChIKey of 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol?
The InChIKey is ISMWXCXSUMDLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3S/c6-2-4-8-7-3-1-5-9/h7-9H,1-6H2.
What are the key properties of 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol?
3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol has a molecular weight of 149.26 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol is sourced from PubChem (CID 170405976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).