chloro-imino-methoxy-oxo-λ6-sulfane

CH4ClNO2S — CID 88925377

IUPACchloro-imino-methoxy-oxo-λ6-sulfane
SMILES[H]N=S(=O)(Cl)OC
InChIInChI=1S/CH4ClNO2S/c1-5-6(2,3)4/h3H,1H3
InChIKeyAVAQYJJTUKALHX-UHFFFAOYSA-N
MW129.57 g/mol
LogP0.75
Rot. Bonds1

About chloro-imino-methoxy-oxo-λ6-sulfane

chloro-imino-methoxy-oxo-λ6-sulfane (PubChem CID 88925377) has the molecular formula CH4ClNO2S and a molecular weight of 129.57 g/mol. Its IUPAC name is chloro-imino-methoxy-oxo-λ6-sulfane.

Molecular Properties

Compound Namechloro-imino-methoxy-oxo-λ6-sulfane
PubChem CID88925377
Molecular FormulaCH4ClNO2S
Molecular Weight129.57 g/mol
Exact Mass128.97
IUPAC Namechloro-imino-methoxy-oxo-λ6-sulfane
SMILES[H]N=S(=O)(Cl)OC
InChIInChI=1S/CH4ClNO2S/c1-5-6(2,3)4/h3H,1H3
InChIKeyAVAQYJJTUKALHX-UHFFFAOYSA-N
XLogP0.75
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chloro-imino-methoxy-oxo-λ6-sulfane?
The IUPAC name of chloro-imino-methoxy-oxo-λ6-sulfane (CID 88925377) is chloro-imino-methoxy-oxo-λ6-sulfane.
What is the SMILES notation for chloro-imino-methoxy-oxo-λ6-sulfane?
The canonical SMILES for chloro-imino-methoxy-oxo-λ6-sulfane is [H]N=S(=O)(Cl)OC.
What is the InChIKey of chloro-imino-methoxy-oxo-λ6-sulfane?
The InChIKey is AVAQYJJTUKALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4ClNO2S/c1-5-6(2,3)4/h3H,1H3.
What are the key properties of chloro-imino-methoxy-oxo-λ6-sulfane?
chloro-imino-methoxy-oxo-λ6-sulfane has a molecular weight of 129.57 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-imino-methoxy-oxo-λ6-sulfane is sourced from PubChem (CID 88925377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).