(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite

C9H18ClNS — CID 86215016

IUPAC(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite
SMILESCC(C)(C)C(=NSCl)C(C)(C)C
InChIInChI=1S/C9H18ClNS/c1-8(2,3)7(11-12-10)9(4,5)6/h1-6H3
InChIKeyMULYKHBXDNOAAH-UHFFFAOYSA-N
MW207.77 g/mol
LogP4.32
Rot. Bonds1

About (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite

(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite (PubChem CID 86215016) has the molecular formula C9H18ClNS and a molecular weight of 207.77 g/mol. Its IUPAC name is (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite.

Molecular Properties

Compound Name(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite
PubChem CID86215016
Molecular FormulaC9H18ClNS
Molecular Weight207.77 g/mol
Exact Mass207.08
IUPAC Name(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite
SMILESCC(C)(C)C(=NSCl)C(C)(C)C
InChIInChI=1S/C9H18ClNS/c1-8(2,3)7(11-12-10)9(4,5)6/h1-6H3
InChIKeyMULYKHBXDNOAAH-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Lithium di-t-butylmethyleneamide
CID 101048200
Carbanide;dichlorotitanium;2,2,4,4-tetramethylpentan-3-ylideneazanide
CID 153465289
N-iodo-2,2,4,4-tetramethylpentan-3-imine
CID 154519805
N-(2,2-dimethylpentan-3-ylidene)thiohydroxylamine
CID 164140974
N-(4,4-dimethylpentan-2-ylidene)thiohydroxylamine
CID 173564803
2,2-dimethyl-N-methylsulfanylpentan-3-imine
CID 173971189
2,2,4,4-Tetramethylpentan-3-ylideneazanide
CID 101447339
CID 101770485
CID 101770485

Frequently Asked Questions

What is the IUPAC name of (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite?
The IUPAC name of (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite (CID 86215016) is (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite.
What is the SMILES notation for (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite?
The canonical SMILES for (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite is CC(C)(C)C(=NSCl)C(C)(C)C.
What is the InChIKey of (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite?
The InChIKey is MULYKHBXDNOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNS/c1-8(2,3)7(11-12-10)9(4,5)6/h1-6H3.
What are the key properties of (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite?
(2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite has a molecular weight of 207.77 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,4-tetramethylpentan-3-ylideneamino) thiohypochlorite is sourced from PubChem (CID 86215016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).