dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide

C9H12Cl2N3ORhS2- — CID 50911516

IUPACdichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
SMILESCSC(=S)NN=C(C)c1ccccn1.Cl[Rh]Cl.[OH-]
InChIInChI=1S/C9H11N3S2.2ClH.H2O.Rh/c1-7(11-12-9(13)14-2)8-5-3-4-6-10-8;;;;/h3-6H,1-2H3,(H,12,13);2*1H;1H2;/q;;;;+2/p-3
InChIKeyKBAYBKXRUYNCFD-UHFFFAOYSA-K
MW416.16 g/mol
LogP3.24
Rot. Bonds2

About dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide

dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide (PubChem CID 50911516) has the molecular formula C9H12Cl2N3ORhS2- and a molecular weight of 416.16 g/mol. Its IUPAC name is dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide.

Molecular Properties

Compound Namedichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
PubChem CID50911516
Molecular FormulaC9H12Cl2N3ORhS2-
Molecular Weight416.16 g/mol
Exact Mass414.89
IUPAC Namedichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide
SMILESCSC(=S)NN=C(C)c1ccccn1.Cl[Rh]Cl.[OH-]
InChIInChI=1S/C9H11N3S2.2ClH.H2O.Rh/c1-7(11-12-9(13)14-2)8-5-3-4-6-10-8;;;;/h3-6H,1-2H3,(H,12,13);2*1H;1H2;/q;;;;+2/p-3
InChIKeyKBAYBKXRUYNCFD-UHFFFAOYSA-K
XLogP3.24
TPSA67.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);copper
CID 50911424
bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);zinc
CID 50919422
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
benzyl N-[(Z)-1-pyridin-2-ylethylideneamino]carbamodithioate;benzyl N-[(E)-1-pyridin-2-ylethylideneamino]carbamodithioate;dimethyltin
CID 20843990
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931

Frequently Asked Questions

What is the IUPAC name of dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide?
The IUPAC name of dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide (CID 50911516) is dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide.
What is the SMILES notation for dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide?
The canonical SMILES for dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide is CSC(=S)NN=C(C)c1ccccn1.Cl[Rh]Cl.[OH-].
What is the InChIKey of dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide?
The InChIKey is KBAYBKXRUYNCFD-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H11N3S2.2ClH.H2O.Rh/c1-7(11-12-9(13)14-2)8-5-3-4-6-10-8;;;;/h3-6H,1-2H3,(H,12,13);2*1H;1H2;/q;;;;+2/p-3.
What are the key properties of dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide?
dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide has a molecular weight of 416.16 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororhodium;methyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate;hydroxide is sourced from PubChem (CID 50911516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).