2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc

C4H10N2O4S6Zn2 — CID 174964668

IUPAC2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc
SMILESO=S(O)(O)=S.O=[Zn].S=C(S)NCCNC(=S)S.[Zn]
InChIInChI=1S/C4H8N2S4.H2O3S2.O.2Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H2,1,2,3,4);;;
InChIKeyXEOJXSOCNMSHLX-UHFFFAOYSA-N
MW473.32 g/mol
LogP0.15
Rot. Bonds3

About 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc

2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc (PubChem CID 174964668) has the molecular formula C4H10N2O4S6Zn2 and a molecular weight of 473.32 g/mol. Its IUPAC name is 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc.

Molecular Properties

Compound Name2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc
PubChem CID174964668
Molecular FormulaC4H10N2O4S6Zn2
Molecular Weight473.32 g/mol
Exact Mass469.75
IUPAC Name2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc
SMILESO=S(O)(O)=S.O=[Zn].S=C(S)NCCNC(=S)S.[Zn]
InChIInChI=1S/C4H8N2S4.H2O3S2.O.2Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H2,1,2,3,4);;;
InChIKeyXEOJXSOCNMSHLX-UHFFFAOYSA-N
XLogP0.15
TPSA98.66 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.32
LogP ≤ 50.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydrogen sulfate
CID 172838822
CID 174656943
CID 174656943
2-(dithiocarboxyamino)ethanesulfonic acid
CID 3037748
magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
CID 174341714
2-(dithiocarboxyamino)ethylcarbamodithioic acid;phosphoric acid
CID 172780597
8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
2-(dithiocarboxyamino)ethylcarbamodithioic acid;formonitrile
CID 174889042
2-(methylamino)ethylcarbamodithioic acid
CID 90890805
2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
CID 158207882
zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid
CID 87197955
molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid
CID 88616923
azane;2-hydroxyethylcarbamodithioic acid
CID 170844330

Frequently Asked Questions

What is the IUPAC name of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc?
The IUPAC name of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc (CID 174964668) is 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc.
What is the SMILES notation for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc?
The canonical SMILES for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc is O=S(O)(O)=S.O=[Zn].S=C(S)NCCNC(=S)S.[Zn].
What is the InChIKey of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc?
The InChIKey is XEOJXSOCNMSHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.H2O3S2.O.2Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H2,1,2,3,4);;;.
What are the key properties of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc?
2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc has a molecular weight of 473.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;oxozinc;sulfurothioic O-acid;zinc is sourced from PubChem (CID 174964668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).