methylamino thiohypochlorite

CH4ClNS — CID 144977915

IUPACmethylamino thiohypochlorite
SMILESCNSCl
InChIInChI=1S/CH4ClNS/c1-3-4-2/h3H,1H3
InChIKeyKVQCSKVSFLFKHZ-UHFFFAOYSA-N
MW97.57 g/mol
LogP1.01
Rot. Bonds1

About methylamino thiohypochlorite

methylamino thiohypochlorite (PubChem CID 144977915) has the molecular formula CH4ClNS and a molecular weight of 97.57 g/mol. Its IUPAC name is methylamino thiohypochlorite.

Molecular Properties

Compound Namemethylamino thiohypochlorite
PubChem CID144977915
Molecular FormulaCH4ClNS
Molecular Weight97.57 g/mol
Exact Mass96.98
IUPAC Namemethylamino thiohypochlorite
SMILESCNSCl
InChIInChI=1S/CH4ClNS/c1-3-4-2/h3H,1H3
InChIKeyKVQCSKVSFLFKHZ-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.57
LogP ≤ 51.01
H-Bond Donors ≤ 51
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 methylamino thiohypochlorite?
The IUPAC name of methylamino thiohypochlorite (CID 144977915) is methylamino thiohypochlorite.
What is the SMILES notation for methylamino thiohypochlorite?
The canonical SMILES for methylamino thiohypochlorite is CNSCl.
What is the InChIKey of methylamino thiohypochlorite?
The InChIKey is KVQCSKVSFLFKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4ClNS/c1-3-4-2/h3H,1H3.
What are the key properties of methylamino thiohypochlorite?
methylamino thiohypochlorite has a molecular weight of 97.57 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino thiohypochlorite is sourced from PubChem (CID 144977915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).