carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)

C12H28ClHfN3S — CID 171766548

IUPACcarbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]CSC1CCCC1Cl.[CH3-].[Hf+4]
InChIInChI=1S/C7H13ClNS.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyIPPLFWQXAMSGQC-UHFFFAOYSA-N
MW460.39 g/mol
LogP4.53
Rot. Bonds3

About carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)

carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+) (PubChem CID 171766548) has the molecular formula C12H28ClHfN3S and a molecular weight of 460.39 g/mol. Its IUPAC name is carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+).

Molecular Properties

Compound Namecarbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)
PubChem CID171766548
Molecular FormulaC12H28ClHfN3S
Molecular Weight460.39 g/mol
Exact Mass461.12
IUPAC Namecarbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]CSC1CCCC1Cl.[CH3-].[Hf+4]
InChIInChI=1S/C7H13ClNS.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyIPPLFWQXAMSGQC-UHFFFAOYSA-N
XLogP4.53
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)?
The IUPAC name of carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+) (CID 171766548) is carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+).
What is the SMILES notation for carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)?
The canonical SMILES for carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+) is C[N-]C.C[N-]C.C[N-]CSC1CCCC1Cl.[CH3-].[Hf+4].
What is the InChIKey of carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)?
The InChIKey is IPPLFWQXAMSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClNS.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+)?
carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+) has a molecular weight of 460.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2-chlorocyclopentyl)sulfanylmethyl-methylazanide;bis(dimethylazanide);hafnium(4+) is sourced from PubChem (CID 171766548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).