ethylsulfinylmethanimine

C3H7NOS — CID 171035287

IUPACethylsulfinylmethanimine
SMILES[H]/N=C/S(=O)CC
InChIInChI=1S/C3H7NOS/c1-2-6(5)3-4/h3-4H,2H2,1H3/b4-3+
InChIKeyBXFXTCBVMZAWTK-ONEGZZNKSA-N
MW105.16 g/mol
LogP0.36
Rot. Bonds2

About ethylsulfinylmethanimine

ethylsulfinylmethanimine (PubChem CID 171035287) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is ethylsulfinylmethanimine.

Molecular Properties

Compound Nameethylsulfinylmethanimine
PubChem CID171035287
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Nameethylsulfinylmethanimine
SMILES[H]/N=C/S(=O)CC
InChIInChI=1S/C3H7NOS/c1-2-6(5)3-4/h3-4H,2H2,1H3/b4-3+
InChIKeyBXFXTCBVMZAWTK-ONEGZZNKSA-N
XLogP0.36
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylsulfinylmethanimine?
The IUPAC name of ethylsulfinylmethanimine (CID 171035287) is ethylsulfinylmethanimine.
What is the SMILES notation for ethylsulfinylmethanimine?
The canonical SMILES for ethylsulfinylmethanimine is [H]/N=C/S(=O)CC.
What is the InChIKey of ethylsulfinylmethanimine?
The InChIKey is BXFXTCBVMZAWTK-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7NOS/c1-2-6(5)3-4/h3-4H,2H2,1H3/b4-3+.
What are the key properties of ethylsulfinylmethanimine?
ethylsulfinylmethanimine has a molecular weight of 105.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylmethanimine is sourced from PubChem (CID 171035287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).