2-sulfinoiminopropane

C3H7NO2S — CID 146807205

IUPAC2-sulfinoiminopropane
SMILESCC(C)=NS(=O)O
InChIInChI=1S/C3H7NO2S/c1-3(2)4-7(5)6/h1-2H3,(H,5,6)
InChIKeyABXSRGGJUKIHTP-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.60
Rot. Bonds1

About 2-sulfinoiminopropane

2-sulfinoiminopropane (PubChem CID 146807205) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is 2-sulfinoiminopropane.

Molecular Properties

Compound Name2-sulfinoiminopropane
PubChem CID146807205
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name2-sulfinoiminopropane
SMILESCC(C)=NS(=O)O
InChIInChI=1S/C3H7NO2S/c1-3(2)4-7(5)6/h1-2H3,(H,5,6)
InChIKeyABXSRGGJUKIHTP-UHFFFAOYSA-N
XLogP0.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-sulfinoiminopropane?
The IUPAC name of 2-sulfinoiminopropane (CID 146807205) is 2-sulfinoiminopropane.
What is the SMILES notation for 2-sulfinoiminopropane?
The canonical SMILES for 2-sulfinoiminopropane is CC(C)=NS(=O)O.
What is the InChIKey of 2-sulfinoiminopropane?
The InChIKey is ABXSRGGJUKIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3(2)4-7(5)6/h1-2H3,(H,5,6).
What are the key properties of 2-sulfinoiminopropane?
2-sulfinoiminopropane has a molecular weight of 121.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinoiminopropane is sourced from PubChem (CID 146807205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).