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

C4H8N2OS — CID 13404106

IUPAC4-hydroxy-1,3-diazinane-2-thione
SMILESOC1CCNC(=S)N1
InChIInChI=1S/C4H8N2OS/c7-3-1-2-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)
InChIKeyZHKIHXDZKLLUMJ-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.83
Rot. Bonds

About 4-hydroxy-1,3-diazinane-2-thione

4-hydroxy-1,3-diazinane-2-thione (PubChem CID 13404106) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 4-hydroxy-1,3-diazinane-2-thione.

Molecular Properties

Compound Name4-hydroxy-1,3-diazinane-2-thione
PubChem CID13404106
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name4-hydroxy-1,3-diazinane-2-thione
SMILESOC1CCNC(=S)N1
InChIInChI=1S/C4H8N2OS/c7-3-1-2-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)
InChIKeyZHKIHXDZKLLUMJ-UHFFFAOYSA-N
XLogP-0.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
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 4-hydroxy-1,3-diazinane-2-thione?
The IUPAC name of 4-hydroxy-1,3-diazinane-2-thione (CID 13404106) is 4-hydroxy-1,3-diazinane-2-thione.
What is the SMILES notation for 4-hydroxy-1,3-diazinane-2-thione?
The canonical SMILES for 4-hydroxy-1,3-diazinane-2-thione is OC1CCNC(=S)N1.
What is the InChIKey of 4-hydroxy-1,3-diazinane-2-thione?
The InChIKey is ZHKIHXDZKLLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c7-3-1-2-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8).
What are the key properties of 4-hydroxy-1,3-diazinane-2-thione?
4-hydroxy-1,3-diazinane-2-thione has a molecular weight of 132.19 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-diazinane-2-thione is sourced from PubChem (CID 13404106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).