tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium

C28H24Cl2N12RhS4-4 — CID 75312247

IUPACtetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium
SMILESCl[Rh]Cl.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1
InChIInChI=1S/4C7H6N3S.2ClH.Rh/c4*8-10-7-9-5-3-1-2-4-6(5)11-7;;;/h4*1-4H,8H2;2*1H;/q4*-1;;;+2/p-2
InChIKeyMBBNPBZOOXHQGG-UHFFFAOYSA-L
MW830.66 g/mol
LogP10.08
Rot. Bonds4

About tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium

tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium (PubChem CID 75312247) has the molecular formula C28H24Cl2N12RhS4-4 and a molecular weight of 830.66 g/mol. Its IUPAC name is tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium.

Molecular Properties

Compound Nametetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium
PubChem CID75312247
Molecular FormulaC28H24Cl2N12RhS4-4
Molecular Weight830.66 g/mol
Exact Mass828.96
IUPAC Nametetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium
SMILESCl[Rh]Cl.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1
InChIInChI=1S/4C7H6N3S.2ClH.Rh/c4*8-10-7-9-5-3-1-2-4-6(5)11-7;;;/h4*1-4H,8H2;2*1H;/q4*-1;;;+2/p-2
InChIKeyMBBNPBZOOXHQGG-UHFFFAOYSA-L
XLogP10.08
TPSA212.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.66
LogP ≤ 510.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium 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

2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole
CID 23235042
N-hydroxy-1,3-benzothiazole-2-carboximidoyl chloride
CID 137226109
zinc 1,3-benzothiazole-2-thiolate
CID 25200224
N-(diaminomethylidene)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 22097901
2-[(E)-1,3-benzothiazol-2-ylazanidyliminomethyl]phenolate;lead(2+)
CID 135546195
1-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)propan-2-amine
CID 79818773
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
octakis(1,3-benzothiazole-2-thiolate);tetrakis(dichloromethane);tetrakis(nickel(2+))
CID 139159458
3-(1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 134128343
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172

Frequently Asked Questions

What is the IUPAC name of tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium?
The IUPAC name of tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium (CID 75312247) is tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium.
What is the SMILES notation for tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium?
The canonical SMILES for tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium is Cl[Rh]Cl.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.N[N-]c1nc2ccccc2s1.
What is the InChIKey of tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium?
The InChIKey is MBBNPBZOOXHQGG-UHFFFAOYSA-L. The full InChI is InChI=1S/4C7H6N3S.2ClH.Rh/c4*8-10-7-9-5-3-1-2-4-6(5)11-7;;;/h4*1-4H,8H2;2*1H;/q4*-1;;;+2/p-2.
What are the key properties of tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium?
tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium has a molecular weight of 830.66 g/mol, XLogP of 10.08, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(amino(1,3-benzothiazol-2-yl)azanide);dichlororhodium is sourced from PubChem (CID 75312247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).