carbanide;isothiocyanic acid;rhodium

C5H13NRhS-4 — CID 87872236

IUPACcarbanide;isothiocyanic acid;rhodium
SMILESN=C=S.[CH3-].[CH3-].[CH3-].[CH3-].[Rh]
InChIInChI=1S/CHNS.4CH3.Rh/c2-1-3;;;;;/h2H;4*1H3;/q;4*-1;
InChIKeyNSQALRJQFINROH-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.47
Rot. Bonds

About carbanide;isothiocyanic acid;rhodium

carbanide;isothiocyanic acid;rhodium (PubChem CID 87872236) has the molecular formula C5H13NRhS-4 and a molecular weight of 222.14 g/mol. Its IUPAC name is carbanide;isothiocyanic acid;rhodium.

Molecular Properties

Compound Namecarbanide;isothiocyanic acid;rhodium
PubChem CID87872236
Molecular FormulaC5H13NRhS-4
Molecular Weight222.14 g/mol
Exact Mass221.98
IUPAC Namecarbanide;isothiocyanic acid;rhodium
SMILESN=C=S.[CH3-].[CH3-].[CH3-].[CH3-].[Rh]
InChIInChI=1S/CHNS.4CH3.Rh/c2-1-3;;;;;/h2H;4*1H3;/q;4*-1;
InChIKeyNSQALRJQFINROH-UHFFFAOYSA-N
XLogP2.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze carbanide;isothiocyanic acid;rhodium 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

isothiocyanic acid;methane
CID 173005239
sodium;cobalt;hydride;isothiocyanic acid
CID 173129764
cyclopropane;isothiocyanic acid
CID 160696657
isothiocyanic acid;phosphoric acid
CID 87093486
isocyanic acid;isothiocyanic acid;1,3,5-triazine
CID 173352861
methanediimine;sulfur monoxide
CID 173434188
methanediimine
CID 161145332
isothiocyanic acid;methylcyclohexane
CID 87440349
isothiocyanic acid;methylcyclohexane
CID 87092956
isothiocyanic acid;toluene
CID 87226485
isothiocyanic acid;thiadiazole
CID 88774621
methanediimine;zirconium
CID 175955107

Frequently Asked Questions

What is the IUPAC name of carbanide;isothiocyanic acid;rhodium?
The IUPAC name of carbanide;isothiocyanic acid;rhodium (CID 87872236) is carbanide;isothiocyanic acid;rhodium.
What is the SMILES notation for carbanide;isothiocyanic acid;rhodium?
The canonical SMILES for carbanide;isothiocyanic acid;rhodium is N=C=S.[CH3-].[CH3-].[CH3-].[CH3-].[Rh].
What is the InChIKey of carbanide;isothiocyanic acid;rhodium?
The InChIKey is NSQALRJQFINROH-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.4CH3.Rh/c2-1-3;;;;;/h2H;4*1H3;/q;4*-1;.
What are the key properties of carbanide;isothiocyanic acid;rhodium?
carbanide;isothiocyanic acid;rhodium has a molecular weight of 222.14 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;isothiocyanic acid;rhodium is sourced from PubChem (CID 87872236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).