[bis(2-methylpropyl)amino] thiohypochlorite

C8H18ClNS — CID 54150738

IUPAC[bis(2-methylpropyl)amino] thiohypochlorite
SMILESCC(C)CN(CC(C)C)SCl
InChIInChI=1S/C8H18ClNS/c1-7(2)5-10(11-9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOHOFMRZVHAFRAS-UHFFFAOYSA-N
MW195.76 g/mol
LogP3.40
Rot. Bonds5

About [bis(2-methylpropyl)amino] thiohypochlorite

[bis(2-methylpropyl)amino] thiohypochlorite (PubChem CID 54150738) has the molecular formula C8H18ClNS and a molecular weight of 195.76 g/mol. Its IUPAC name is [bis(2-methylpropyl)amino] thiohypochlorite.

Molecular Properties

Compound Name[bis(2-methylpropyl)amino] thiohypochlorite
PubChem CID54150738
Molecular FormulaC8H18ClNS
Molecular Weight195.76 g/mol
Exact Mass195.08
IUPAC Name[bis(2-methylpropyl)amino] thiohypochlorite
SMILESCC(C)CN(CC(C)C)SCl
InChIInChI=1S/C8H18ClNS/c1-7(2)5-10(11-9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOHOFMRZVHAFRAS-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(2-methylpropyl)amino] thiohypochlorite?
The IUPAC name of [bis(2-methylpropyl)amino] thiohypochlorite (CID 54150738) is [bis(2-methylpropyl)amino] thiohypochlorite.
What is the SMILES notation for [bis(2-methylpropyl)amino] thiohypochlorite?
The canonical SMILES for [bis(2-methylpropyl)amino] thiohypochlorite is CC(C)CN(CC(C)C)SCl.
What is the InChIKey of [bis(2-methylpropyl)amino] thiohypochlorite?
The InChIKey is OHOFMRZVHAFRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNS/c1-7(2)5-10(11-9)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of [bis(2-methylpropyl)amino] thiohypochlorite?
[bis(2-methylpropyl)amino] thiohypochlorite has a molecular weight of 195.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylpropyl)amino] thiohypochlorite is sourced from PubChem (CID 54150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).