1-methylimino-1-oxothian-4-ol

C6H13NO2S — CID 129262099

IUPAC1-methylimino-1-oxothian-4-ol
SMILESCN=S1(=O)CCC(O)CC1
InChIInChI=1S/C6H13NO2S/c1-7-10(9)4-2-6(8)3-5-10/h6,8H,2-5H2,1H3
InChIKeySBGMUBXSYTXERW-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.24
Rot. Bonds

About 1-methylimino-1-oxothian-4-ol

1-methylimino-1-oxothian-4-ol (PubChem CID 129262099) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-methylimino-1-oxothian-4-ol.

Molecular Properties

Compound Name1-methylimino-1-oxothian-4-ol
PubChem CID129262099
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-methylimino-1-oxothian-4-ol
SMILESCN=S1(=O)CCC(O)CC1
InChIInChI=1S/C6H13NO2S/c1-7-10(9)4-2-6(8)3-5-10/h6,8H,2-5H2,1H3
InChIKeySBGMUBXSYTXERW-UHFFFAOYSA-N
XLogP0.24
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimino-1-oxothian-4-ol?
The IUPAC name of 1-methylimino-1-oxothian-4-ol (CID 129262099) is 1-methylimino-1-oxothian-4-ol.
What is the SMILES notation for 1-methylimino-1-oxothian-4-ol?
The canonical SMILES for 1-methylimino-1-oxothian-4-ol is CN=S1(=O)CCC(O)CC1.
What is the InChIKey of 1-methylimino-1-oxothian-4-ol?
The InChIKey is SBGMUBXSYTXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-10(9)4-2-6(8)3-5-10/h6,8H,2-5H2,1H3.
What are the key properties of 1-methylimino-1-oxothian-4-ol?
1-methylimino-1-oxothian-4-ol has a molecular weight of 163.24 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-1-oxothian-4-ol is sourced from PubChem (CID 129262099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).