2-aminoethylazanide;bis(thietane-2-thiolate);zinc

C8H17N2S4Zn-3 — CID 87439407

IUPAC2-aminoethylazanide;bis(thietane-2-thiolate);zinc
SMILES[NH-]CCN.[S-]C1CCS1.[S-]C1CCS1.[Zn]
InChIInChI=1S/2C3H6S2.C2H7N2.Zn/c2*4-3-1-2-5-3;3-1-2-4;/h2*3-4H,1-2H2;3H,1-2,4H2;/q;;-1;/p-2
InChIKeyBZTARNIJDJIXOJ-UHFFFAOYSA-L
MW334.90 g/mol
LogP1.99
Rot. Bonds1

About 2-aminoethylazanide;bis(thietane-2-thiolate);zinc

2-aminoethylazanide;bis(thietane-2-thiolate);zinc (PubChem CID 87439407) has the molecular formula C8H17N2S4Zn-3 and a molecular weight of 334.90 g/mol. Its IUPAC name is 2-aminoethylazanide;bis(thietane-2-thiolate);zinc.

Molecular Properties

Compound Name2-aminoethylazanide;bis(thietane-2-thiolate);zinc
PubChem CID87439407
Molecular FormulaC8H17N2S4Zn-3
Molecular Weight334.90 g/mol
Exact Mass332.96
IUPAC Name2-aminoethylazanide;bis(thietane-2-thiolate);zinc
SMILES[NH-]CCN.[S-]C1CCS1.[S-]C1CCS1.[Zn]
InChIInChI=1S/2C3H6S2.C2H7N2.Zn/c2*4-3-1-2-5-3;3-1-2-4;/h2*3-4H,1-2H2;3H,1-2,4H2;/q;;-1;/p-2
InChIKeyBZTARNIJDJIXOJ-UHFFFAOYSA-L
XLogP1.99
TPSA49.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.90
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

bis(2-aminoethylazanide);ethane-1,2-diamine;osmium(8+)
CID 6398168
thietan-2-ylmethanamine;hydrochloride
CID 75525729
2-aminoethylazanide;trioxomolybdenum
CID 175007451
2-aminoethylazanide;2-azanidylethylazanide;dichlororuthenium
CID 50909589
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
(2-methylthian-4-yl)methanamine
CID 83905002
3-(thiolan-2-yl)propan-1-amine
CID 83479274
2-methyl-1-(thietan-2-yl)propan-2-amine
CID 84649066
6-(dithiolan-3-yl)hexan-1-amine
CID 142820519
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
4,4-difluoro-3-(thian-4-yl)butan-1-amine
CID 115026573
2-(1,3-thiazolidin-2-yl)ethanamine
CID 54123437

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylazanide;bis(thietane-2-thiolate);zinc?
The IUPAC name of 2-aminoethylazanide;bis(thietane-2-thiolate);zinc (CID 87439407) is 2-aminoethylazanide;bis(thietane-2-thiolate);zinc.
What is the SMILES notation for 2-aminoethylazanide;bis(thietane-2-thiolate);zinc?
The canonical SMILES for 2-aminoethylazanide;bis(thietane-2-thiolate);zinc is [NH-]CCN.[S-]C1CCS1.[S-]C1CCS1.[Zn].
What is the InChIKey of 2-aminoethylazanide;bis(thietane-2-thiolate);zinc?
The InChIKey is BZTARNIJDJIXOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6S2.C2H7N2.Zn/c2*4-3-1-2-5-3;3-1-2-4;/h2*3-4H,1-2H2;3H,1-2,4H2;/q;;-1;/p-2.
What are the key properties of 2-aminoethylazanide;bis(thietane-2-thiolate);zinc?
2-aminoethylazanide;bis(thietane-2-thiolate);zinc has a molecular weight of 334.90 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylazanide;bis(thietane-2-thiolate);zinc is sourced from PubChem (CID 87439407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).