zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)

C12H32N6S2Zn — CID 10937993

IUPACzinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
SMILESNCCN(CCN)CC[S-].NCCN(CCN)CC[S-].[Zn+2]
InChIInChI=1S/2C6H17N3S.Zn/c2*7-1-3-9(4-2-8)5-6-10;/h2*10H,1-8H2;/q;;+2/p-2
InChIKeyNGDPNLSQRYSMBS-UHFFFAOYSA-L
MW389.95 g/mol
LogP-2.50
Rot. Bonds12

About zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)

zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate) (PubChem CID 10937993) has the molecular formula C12H32N6S2Zn and a molecular weight of 389.95 g/mol. Its IUPAC name is zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate).

Molecular Properties

Compound Namezinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
PubChem CID10937993
Molecular FormulaC12H32N6S2Zn
Molecular Weight389.95 g/mol
Exact Mass388.14
IUPAC Namezinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
SMILESNCCN(CCN)CC[S-].NCCN(CCN)CC[S-].[Zn+2]
InChIInChI=1S/2C6H17N3S.Zn/c2*7-1-3-9(4-2-8)5-6-10;/h2*10H,1-8H2;/q;;+2/p-2
InChIKeyNGDPNLSQRYSMBS-UHFFFAOYSA-L
XLogP-2.50
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 5-2.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
CID 71341920
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
2-aminoethanethiolate
CID 14175586
CID 50934435
CID 50934435
1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
CID 87276093
2-aminoethanethiolate;yttrium
CID 162364389
2-(diethylamino)ethanethiolate;yttrium
CID 177191246
N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
CID 161159792

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)?
The IUPAC name of zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate) (CID 10937993) is zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate).
What is the SMILES notation for zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)?
The canonical SMILES for zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate) is NCCN(CCN)CC[S-].NCCN(CCN)CC[S-].[Zn+2].
What is the InChIKey of zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)?
The InChIKey is NGDPNLSQRYSMBS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H17N3S.Zn/c2*7-1-3-9(4-2-8)5-6-10;/h2*10H,1-8H2;/q;;+2/p-2.
What are the key properties of zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)?
zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate) has a molecular weight of 389.95 g/mol, XLogP of -2.50, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate) is sourced from PubChem (CID 10937993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).