1-hydroxy-1,3-diazinane-2-thione

C4H8N2OS — CID 22617591

IUPAC1-hydroxy-1,3-diazinane-2-thione
SMILESON1CCCNC1=S
InChIInChI=1S/C4H8N2OS/c7-6-3-1-2-5-4(6)8/h7H,1-3H2,(H,5,8)
InChIKeyPZUMRIKGNKPRAK-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.04
Rot. Bonds

About 1-hydroxy-1,3-diazinane-2-thione

1-hydroxy-1,3-diazinane-2-thione (PubChem CID 22617591) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 1-hydroxy-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-hydroxy-1,3-diazinane-2-thione
PubChem CID22617591
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name1-hydroxy-1,3-diazinane-2-thione
SMILESON1CCCNC1=S
InChIInChI=1S/C4H8N2OS/c7-6-3-1-2-5-4(6)8/h7H,1-3H2,(H,5,8)
InChIKeyPZUMRIKGNKPRAK-UHFFFAOYSA-N
XLogP-0.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.04
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-hydroxy-1,3-diazinane-2-thione?
The IUPAC name of 1-hydroxy-1,3-diazinane-2-thione (CID 22617591) is 1-hydroxy-1,3-diazinane-2-thione.
What is the SMILES notation for 1-hydroxy-1,3-diazinane-2-thione?
The canonical SMILES for 1-hydroxy-1,3-diazinane-2-thione is ON1CCCNC1=S.
What is the InChIKey of 1-hydroxy-1,3-diazinane-2-thione?
The InChIKey is PZUMRIKGNKPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c7-6-3-1-2-5-4(6)8/h7H,1-3H2,(H,5,8).
What are the key properties of 1-hydroxy-1,3-diazinane-2-thione?
1-hydroxy-1,3-diazinane-2-thione has a molecular weight of 132.19 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3-diazinane-2-thione is sourced from PubChem (CID 22617591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).