1-(2-hydroxyethyl)-1,3-diazinane-2-thione

C6H12N2OS — CID 3603281

IUPAC1-(2-hydroxyethyl)-1,3-diazinane-2-thione
SMILESOCCN1CCCNC1=S
InChIInChI=1S/C6H12N2OS/c9-5-4-8-3-1-2-7-6(8)10/h9H,1-5H2,(H,7,10)
InChIKeyFNCZBOZHDOCMLA-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.44
Rot. Bonds2

About 1-(2-hydroxyethyl)-1,3-diazinane-2-thione

1-(2-hydroxyethyl)-1,3-diazinane-2-thione (PubChem CID 3603281) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3-diazinane-2-thione
PubChem CID3603281
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-(2-hydroxyethyl)-1,3-diazinane-2-thione
SMILESOCCN1CCCNC1=S
InChIInChI=1S/C6H12N2OS/c9-5-4-8-3-1-2-7-6(8)10/h9H,1-5H2,(H,7,10)
InChIKeyFNCZBOZHDOCMLA-UHFFFAOYSA-N
XLogP-0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1,3-diazinane-2-thione?
The IUPAC name of 1-(2-hydroxyethyl)-1,3-diazinane-2-thione (CID 3603281) is 1-(2-hydroxyethyl)-1,3-diazinane-2-thione.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3-diazinane-2-thione?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3-diazinane-2-thione is OCCN1CCCNC1=S.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3-diazinane-2-thione?
The InChIKey is FNCZBOZHDOCMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c9-5-4-8-3-1-2-7-6(8)10/h9H,1-5H2,(H,7,10).
What are the key properties of 1-(2-hydroxyethyl)-1,3-diazinane-2-thione?
1-(2-hydroxyethyl)-1,3-diazinane-2-thione has a molecular weight of 160.24 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3-diazinane-2-thione is sourced from PubChem (CID 3603281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).