2-(3-aminopropylamino)ethanethiol;chloro hypochlorite

C5H14Cl2N2OS — CID 162166216

IUPAC2-(3-aminopropylamino)ethanethiol;chloro hypochlorite
SMILESClOCl.NCCCNCCS
InChIInChI=1S/C5H14N2S.Cl2O/c6-2-1-3-7-4-5-8;1-3-2/h7-8H,1-6H2;
InChIKeyZNDXKOUMPCEQPR-UHFFFAOYSA-N
MW221.15 g/mol
LogP1.17
Rot. Bonds5

About 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite

2-(3-aminopropylamino)ethanethiol;chloro hypochlorite (PubChem CID 162166216) has the molecular formula C5H14Cl2N2OS and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite.

Molecular Properties

Compound Name2-(3-aminopropylamino)ethanethiol;chloro hypochlorite
PubChem CID162166216
Molecular FormulaC5H14Cl2N2OS
Molecular Weight221.15 g/mol
Exact Mass220.02
IUPAC Name2-(3-aminopropylamino)ethanethiol;chloro hypochlorite
SMILESClOCl.NCCCNCCS
InChIInChI=1S/C5H14N2S.Cl2O/c6-2-1-3-7-4-5-8;1-3-2/h7-8H,1-6H2;
InChIKeyZNDXKOUMPCEQPR-UHFFFAOYSA-N
XLogP1.17
TPSA47.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylamino)ethanethiol;N'-[2-[2-(3-aminopropylamino)ethylsulfinothioyl]ethyl]propane-1,3-diamine
CID 158867381
5-(3-aminopropylamino)pentane-1-thiol
CID 71726582
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite?
The IUPAC name of 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite (CID 162166216) is 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite.
What is the SMILES notation for 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite?
The canonical SMILES for 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite is ClOCl.NCCCNCCS.
What is the InChIKey of 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite?
The InChIKey is ZNDXKOUMPCEQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S.Cl2O/c6-2-1-3-7-4-5-8;1-3-2/h7-8H,1-6H2;.
What are the key properties of 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite?
2-(3-aminopropylamino)ethanethiol;chloro hypochlorite has a molecular weight of 221.15 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)ethanethiol;chloro hypochlorite is sourced from PubChem (CID 162166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).