titanium(4+) tetracarbamothioate

C4H8N4O4S4Ti — CID 161037335

IUPACtitanium(4+) tetracarbamothioate
SMILESNC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].[Ti+4]
InChIInChI=1S/4CH3NOS.Ti/c4*2-1(3)4;/h4*(H3,2,3,4);/q;;;;+4/p-4
InChIKeyUAKQNIDOFWOASV-UHFFFAOYSA-J
MW352.27 g/mol
LogP-1.55
Rot. Bonds

About titanium(4+) tetracarbamothioate

titanium(4+) tetracarbamothioate (PubChem CID 161037335) has the molecular formula C4H8N4O4S4Ti and a molecular weight of 352.27 g/mol. Its IUPAC name is titanium(4+) tetracarbamothioate.

Molecular Properties

Compound Nametitanium(4+) tetracarbamothioate
PubChem CID161037335
Molecular FormulaC4H8N4O4S4Ti
Molecular Weight352.27 g/mol
Exact Mass351.89
IUPAC Nametitanium(4+) tetracarbamothioate
SMILESNC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].[Ti+4]
InChIInChI=1S/4CH3NOS.Ti/c4*2-1(3)4;/h4*(H3,2,3,4);/q;;;;+4/p-4
InChIKeyUAKQNIDOFWOASV-UHFFFAOYSA-J
XLogP-1.55
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze titanium(4+) tetracarbamothioate 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

zinc;ethane;dicarbamothioate
CID 173004155
molybdenum(4+);sulfur monoxide;tetracarbamothioate
CID 158951605
bis(oxygen(2-));titanium(4+);urea
CID 160875609
diamino(113C)methanone
CID 636363
dilithium;propanoic acid;dicarbamothioate
CID 173417261
azanium urea
CID 22635082
tantalum;urea
CID 159758921
barium(2+);urea
CID 22402807
CID 159010976
CID 159010976
azane;urea
CID 158949980
CID 87675783
CID 87675783
ruthenium;urea
CID 161030938

Frequently Asked Questions

What is the IUPAC name of titanium(4+) tetracarbamothioate?
The IUPAC name of titanium(4+) tetracarbamothioate (CID 161037335) is titanium(4+) tetracarbamothioate.
What is the SMILES notation for titanium(4+) tetracarbamothioate?
The canonical SMILES for titanium(4+) tetracarbamothioate is NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].[Ti+4].
What is the InChIKey of titanium(4+) tetracarbamothioate?
The InChIKey is UAKQNIDOFWOASV-UHFFFAOYSA-J. The full InChI is InChI=1S/4CH3NOS.Ti/c4*2-1(3)4;/h4*(H3,2,3,4);/q;;;;+4/p-4.
What are the key properties of titanium(4+) tetracarbamothioate?
titanium(4+) tetracarbamothioate has a molecular weight of 352.27 g/mol, XLogP of -1.55, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+) tetracarbamothioate is sourced from PubChem (CID 161037335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).