ethane;1,3-thiazolidine 1-oxide

C5H13NOS — CID 143427160

IUPACethane;1,3-thiazolidine 1-oxide
SMILESCC.O=S1CCNC1
InChIInChI=1S/C3H7NOS.C2H6/c5-6-2-1-4-3-6;1-2/h4H,1-3H2;1-2H3
InChIKeyMSWREGGVFYILNH-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.32
Rot. Bonds

About ethane;1,3-thiazolidine 1-oxide

ethane;1,3-thiazolidine 1-oxide (PubChem CID 143427160) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is ethane;1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Nameethane;1,3-thiazolidine 1-oxide
PubChem CID143427160
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Nameethane;1,3-thiazolidine 1-oxide
SMILESCC.O=S1CCNC1
InChIInChI=1S/C3H7NOS.C2H6/c5-6-2-1-4-3-6;1-2/h4H,1-3H2;1-2H3
InChIKeyMSWREGGVFYILNH-UHFFFAOYSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3-thiazolidine 1-oxide?
The IUPAC name of ethane;1,3-thiazolidine 1-oxide (CID 143427160) is ethane;1,3-thiazolidine 1-oxide.
What is the SMILES notation for ethane;1,3-thiazolidine 1-oxide?
The canonical SMILES for ethane;1,3-thiazolidine 1-oxide is CC.O=S1CCNC1.
What is the InChIKey of ethane;1,3-thiazolidine 1-oxide?
The InChIKey is MSWREGGVFYILNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS.C2H6/c5-6-2-1-4-3-6;1-2/h4H,1-3H2;1-2H3.
What are the key properties of ethane;1,3-thiazolidine 1-oxide?
ethane;1,3-thiazolidine 1-oxide has a molecular weight of 135.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-thiazolidine 1-oxide is sourced from PubChem (CID 143427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).