[formyl(methyl)amino] thiohypochlorite

C2H4ClNOS — CID 12819418

IUPAC[formyl(methyl)amino] thiohypochlorite
SMILESCN(C=O)SCl
InChIInChI=1S/C2H4ClNOS/c1-4(2-5)6-3/h2H,1H3
InChIKeyPHVFLGITSDWMKI-UHFFFAOYSA-N
MW125.58 g/mol
LogP0.88
Rot. Bonds2

About [formyl(methyl)amino] thiohypochlorite

[formyl(methyl)amino] thiohypochlorite (PubChem CID 12819418) has the molecular formula C2H4ClNOS and a molecular weight of 125.58 g/mol. Its IUPAC name is [formyl(methyl)amino] thiohypochlorite.

Molecular Properties

Compound Name[formyl(methyl)amino] thiohypochlorite
PubChem CID12819418
Molecular FormulaC2H4ClNOS
Molecular Weight125.58 g/mol
Exact Mass124.97
IUPAC Name[formyl(methyl)amino] thiohypochlorite
SMILESCN(C=O)SCl
InChIInChI=1S/C2H4ClNOS/c1-4(2-5)6-3/h2H,1H3
InChIKeyPHVFLGITSDWMKI-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.58
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-sulfanylformamide
CID 23317740
[Formyl(methyl)amino] thiohypofluorite
CID 178055808
N-chloro-N-methylformamide
CID 12138921
Formyl-dimethyl-sulfanylazanium
CID 21933759
[Methyl(sulfinato)amino]-oxomethane
CID 59437190
N-methyl-N-methylsulfanylformamide
CID 87908601
N-(chloromethyl)-N-sulfanylformamide
CID 88711895
Formyl-dimethyl-sulfidoazanium
CID 140339264
Chlorogold;formyl(methyl)azanide
CID 174974668
N,N-dimethylformamide chloride
CID 20032879
N-methyl-N-sulfanylformamide chloride
CID 23317739
N-aminosulfanyl-N-methylformamide
CID 165119652

Frequently Asked Questions

What is the IUPAC name of [formyl(methyl)amino] thiohypochlorite?
The IUPAC name of [formyl(methyl)amino] thiohypochlorite (CID 12819418) is [formyl(methyl)amino] thiohypochlorite.
What is the SMILES notation for [formyl(methyl)amino] thiohypochlorite?
The canonical SMILES for [formyl(methyl)amino] thiohypochlorite is CN(C=O)SCl.
What is the InChIKey of [formyl(methyl)amino] thiohypochlorite?
The InChIKey is PHVFLGITSDWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNOS/c1-4(2-5)6-3/h2H,1H3.
What are the key properties of [formyl(methyl)amino] thiohypochlorite?
[formyl(methyl)amino] thiohypochlorite has a molecular weight of 125.58 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(methyl)amino] thiohypochlorite is sourced from PubChem (CID 12819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).