bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc

C4H8N2O4S4Zn — CID 174418079

IUPACbis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
SMILESC=COC(=O)N(S)S.O=C(O)N(S)S.[Zn]
InChIInChI=1S/C3H5NO2S2.CH3NO2S2.Zn/c1-2-6-3(5)4(7)8;3-1(4)2(5)6;/h2,7-8H,1H2;5-6H,(H,3,4);
InChIKeyYUKAEDCXDJGCPH-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.91
Rot. Bonds1

About bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc

bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc (PubChem CID 174418079) has the molecular formula C4H8N2O4S4Zn and a molecular weight of 341.78 g/mol. Its IUPAC name is bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc.

Molecular Properties

Compound Namebis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
PubChem CID174418079
Molecular FormulaC4H8N2O4S4Zn
Molecular Weight341.78 g/mol
Exact Mass339.87
IUPAC Namebis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
SMILESC=COC(=O)N(S)S.O=C(O)N(S)S.[Zn]
InChIInChI=1S/C3H5NO2S2.CH3NO2S2.Zn/c1-2-6-3(5)4(7)8;3-1(4)2(5)6;/h2,7-8H,1H2;5-6H,(H,3,4);
InChIKeyYUKAEDCXDJGCPH-UHFFFAOYSA-N
XLogP1.91
TPSA70.08 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc?
The IUPAC name of bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc (CID 174418079) is bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc.
What is the SMILES notation for bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc?
The canonical SMILES for bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc is C=COC(=O)N(S)S.O=C(O)N(S)S.[Zn].
What is the InChIKey of bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc?
The InChIKey is YUKAEDCXDJGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S2.CH3NO2S2.Zn/c1-2-6-3(5)4(7)8;3-1(4)2(5)6;/h2,7-8H,1H2;5-6H,(H,3,4);.
What are the key properties of bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc?
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc has a molecular weight of 341.78 g/mol, XLogP of 1.91, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc is sourced from PubChem (CID 174418079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).