N,N-bis(2-aminoethyl)thiohydroxylamine

C4H13N3S — CID 167298608

IUPACN,N-bis(2-aminoethyl)thiohydroxylamine
SMILESNCCN(S)CCN
InChIInChI=1S/C4H13N3S/c5-1-3-7(8)4-2-6/h8H,1-6H2
InChIKeyJNSJESQABYUONI-UHFFFAOYSA-N
MW135.24 g/mol
LogP-0.95
Rot. Bonds4

About N,N-bis(2-aminoethyl)thiohydroxylamine

N,N-bis(2-aminoethyl)thiohydroxylamine (PubChem CID 167298608) has the molecular formula C4H13N3S and a molecular weight of 135.24 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)thiohydroxylamine.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)thiohydroxylamine
PubChem CID167298608
Molecular FormulaC4H13N3S
Molecular Weight135.24 g/mol
Exact Mass135.08
IUPAC NameN,N-bis(2-aminoethyl)thiohydroxylamine
SMILESNCCN(S)CCN
InChIInChI=1S/C4H13N3S/c5-1-3-7(8)4-2-6/h8H,1-6H2
InChIKeyJNSJESQABYUONI-UHFFFAOYSA-N
XLogP-0.95
TPSA55.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
carbamodithioic acid;N',N'-dimethylethane-1,2-diamine
CID 174232024
2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine
CID 56997319
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine
CID 90401102
zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
CID 10937993
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
N'-dimethylsilyl-N'-methylethane-1,2-diamine
CID 175248542

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)thiohydroxylamine?
The IUPAC name of N,N-bis(2-aminoethyl)thiohydroxylamine (CID 167298608) is N,N-bis(2-aminoethyl)thiohydroxylamine.
What is the SMILES notation for N,N-bis(2-aminoethyl)thiohydroxylamine?
The canonical SMILES for N,N-bis(2-aminoethyl)thiohydroxylamine is NCCN(S)CCN.
What is the InChIKey of N,N-bis(2-aminoethyl)thiohydroxylamine?
The InChIKey is JNSJESQABYUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S/c5-1-3-7(8)4-2-6/h8H,1-6H2.
What are the key properties of N,N-bis(2-aminoethyl)thiohydroxylamine?
N,N-bis(2-aminoethyl)thiohydroxylamine has a molecular weight of 135.24 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)thiohydroxylamine is sourced from PubChem (CID 167298608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).