bis(sulfanyl)carbamic acid;zirconium

CH3NO2S2Zr — CID 88817474

IUPACbis(sulfanyl)carbamic acid;zirconium
SMILESO=C(O)N(S)S.[Zr]
InChIInChI=1S/CH3NO2S2.Zr/c3-1(4)2(5)6;/h5-6H,(H,3,4);
InChIKeyQEILTJIXDQUJCJ-UHFFFAOYSA-N
MW216.40 g/mol
LogP0.65
Rot. Bonds

About bis(sulfanyl)carbamic acid;zirconium

bis(sulfanyl)carbamic acid;zirconium (PubChem CID 88817474) has the molecular formula CH3NO2S2Zr and a molecular weight of 216.40 g/mol. Its IUPAC name is bis(sulfanyl)carbamic acid;zirconium.

Molecular Properties

Compound Namebis(sulfanyl)carbamic acid;zirconium
PubChem CID88817474
Molecular FormulaCH3NO2S2Zr
Molecular Weight216.40 g/mol
Exact Mass214.87
IUPAC Namebis(sulfanyl)carbamic acid;zirconium
SMILESO=C(O)N(S)S.[Zr]
InChIInChI=1S/CH3NO2S2.Zr/c3-1(4)2(5)6;/h5-6H,(H,3,4);
InChIKeyQEILTJIXDQUJCJ-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(sulfanyl)carbamic acid;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;bis(sulfanyl)carbamic acid;hydride
CID 173459236
sodium;bis(sulfanyl)carbamic acid;hydride
CID 173103787
lithium;bis(sulfanyl)carbamic acid;hydride
CID 173029013
bis(sulfanyl)carbamic acid;sulfanide;sulfanylidenemolybdenum
CID 87720725
bis(sulfanyl)carbamic acid;piperidine
CID 174434998
potassium;1,1'-biphenyl;bis(sulfanyl)carbamic acid;hydride
CID 174741093
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
carbonic acid;molybdenum
CID 87095974
carbonothioic O,S-acid
CID 173160462
CID 87071664
CID 87071664
calcium;carbonic acid;oxygen(2-)
CID 19067532
calcium;carbonic acid;difluoride
CID 174333629

Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)carbamic acid;zirconium?
The IUPAC name of bis(sulfanyl)carbamic acid;zirconium (CID 88817474) is bis(sulfanyl)carbamic acid;zirconium.
What is the SMILES notation for bis(sulfanyl)carbamic acid;zirconium?
The canonical SMILES for bis(sulfanyl)carbamic acid;zirconium is O=C(O)N(S)S.[Zr].
What is the InChIKey of bis(sulfanyl)carbamic acid;zirconium?
The InChIKey is QEILTJIXDQUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2S2.Zr/c3-1(4)2(5)6;/h5-6H,(H,3,4);.
What are the key properties of bis(sulfanyl)carbamic acid;zirconium?
bis(sulfanyl)carbamic acid;zirconium has a molecular weight of 216.40 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)carbamic acid;zirconium is sourced from PubChem (CID 88817474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).