2-methyl-1-thionitrosooxypropane

C4H9NOS — CID 90872329

IUPAC2-methyl-1-thionitrosooxypropane
SMILESCC(C)CON=S
InChIInChI=1S/C4H9NOS/c1-4(2)3-6-5-7/h4H,3H2,1-2H3
InChIKeySINPEPFVAOPDFD-UHFFFAOYSA-N
MW119.19 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-1-thionitrosooxypropane

2-methyl-1-thionitrosooxypropane (PubChem CID 90872329) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 2-methyl-1-thionitrosooxypropane.

Molecular Properties

Compound Name2-methyl-1-thionitrosooxypropane
PubChem CID90872329
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name2-methyl-1-thionitrosooxypropane
SMILESCC(C)CON=S
InChIInChI=1S/C4H9NOS/c1-4(2)3-6-5-7/h4H,3H2,1-2H3
InChIKeySINPEPFVAOPDFD-UHFFFAOYSA-N
XLogP1.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)prop-2-yn-1-imine
CID 141285335
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
2-Methyl-1-diisopropylsilyloxypropane
CID 6329048
(2R,3R,4Z)-5-methoxy-6-methyl-4-(2-methylpropoxyimino)heptane-2,3-diol
CID 146550735
2-methylpropoxyaluminum(2+) dibromide
CID 19936986
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
bis(2-methylpropoxy)methylsilane
CID 123767341
ruthenium;tetrakis(tris(2-methylpropyl) phosphite)
CID 173315514
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
trans-(1R,3S)-2,2-dimethyl-3-[2-(2-methylpropoxyimino)propyl]cyclopropane-1-carboxylic acid
CID 88774928
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thionitrosooxypropane?
The IUPAC name of 2-methyl-1-thionitrosooxypropane (CID 90872329) is 2-methyl-1-thionitrosooxypropane.
What is the SMILES notation for 2-methyl-1-thionitrosooxypropane?
The canonical SMILES for 2-methyl-1-thionitrosooxypropane is CC(C)CON=S.
What is the InChIKey of 2-methyl-1-thionitrosooxypropane?
The InChIKey is SINPEPFVAOPDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-4(2)3-6-5-7/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-1-thionitrosooxypropane?
2-methyl-1-thionitrosooxypropane has a molecular weight of 119.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thionitrosooxypropane is sourced from PubChem (CID 90872329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).