3-nitrosothietane

C3H5NOS — CID 90777792

IUPAC3-nitrosothietane
SMILESO=NC1CSC1
InChIInChI=1S/C3H5NOS/c5-4-3-1-6-2-3/h3H,1-2H2
InChIKeySOUDSNNFAFVRGY-UHFFFAOYSA-N
MW103.15 g/mol
LogP0.87
Rot. Bonds1

About 3-nitrosothietane

3-nitrosothietane (PubChem CID 90777792) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 3-nitrosothietane.

Molecular Properties

Compound Name3-nitrosothietane
PubChem CID90777792
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name3-nitrosothietane
SMILESO=NC1CSC1
InChIInChI=1S/C3H5NOS/c5-4-3-1-6-2-3/h3H,1-2H2
InChIKeySOUDSNNFAFVRGY-UHFFFAOYSA-N
XLogP0.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-nitrosothietane?
The IUPAC name of 3-nitrosothietane (CID 90777792) is 3-nitrosothietane.
What is the SMILES notation for 3-nitrosothietane?
The canonical SMILES for 3-nitrosothietane is O=NC1CSC1.
What is the InChIKey of 3-nitrosothietane?
The InChIKey is SOUDSNNFAFVRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS/c5-4-3-1-6-2-3/h3H,1-2H2.
What are the key properties of 3-nitrosothietane?
3-nitrosothietane has a molecular weight of 103.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosothietane is sourced from PubChem (CID 90777792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).