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

C4H8N2OS — CID 3574639

IUPAC5-hydroxy-1,3-diazinane-2-thione
SMILESOC1CNC(=S)NC1
InChIInChI=1S/C4H8N2OS/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
InChIKeyGBUALRXLRRQXGH-UHFFFAOYSA-N
MW132.19 g/mol
LogP-1.17
Rot. Bonds

About 5-hydroxy-1,3-diazinane-2-thione

5-hydroxy-1,3-diazinane-2-thione (PubChem CID 3574639) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 5-hydroxy-1,3-diazinane-2-thione.

Molecular Properties

Compound Name5-hydroxy-1,3-diazinane-2-thione
PubChem CID3574639
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name5-hydroxy-1,3-diazinane-2-thione
SMILESOC1CNC(=S)NC1
InChIInChI=1S/C4H8N2OS/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
InChIKeyGBUALRXLRRQXGH-UHFFFAOYSA-N
XLogP-1.17
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 ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
CID 731344
1-(2-Hydroxyethyl)-3-propylthiourea
CID 2824653
5-(2-Hydroxypropyl)-1,3,5-triazinane-2-thione
CID 2806803
N-methyl-N'-2-hydroxypropylthiourea
CID 4485742
Hexahydropyrimidin-5-ol
CID 10953438
4-Hydroxyhexahydropyrimidine-2-thione
CID 13404106
CID 139243561
CID 139243561
3-(2-Fluoroethyl)-1-(2-hydroxypropyl)thiourea
CID 165508067
1-(2-Hydroxyethyl)-3,4,5,6-tetrahydropyrimidine-2-thione
CID 3603281
5-(2-Hydroxybutyl)-1,3,5-triazinane-2-thione
CID 14070306
5-(2-Hydroxypropyl)-1-methyl-1,3,5-triazinane-2-thione
CID 14070316
2-Hydroxypropylthiourea
CID 54266037

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-diazinane-2-thione?
The IUPAC name of 5-hydroxy-1,3-diazinane-2-thione (CID 3574639) is 5-hydroxy-1,3-diazinane-2-thione.
What is the SMILES notation for 5-hydroxy-1,3-diazinane-2-thione?
The canonical SMILES for 5-hydroxy-1,3-diazinane-2-thione is OC1CNC(=S)NC1.
What is the InChIKey of 5-hydroxy-1,3-diazinane-2-thione?
The InChIKey is GBUALRXLRRQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8).
What are the key properties of 5-hydroxy-1,3-diazinane-2-thione?
5-hydroxy-1,3-diazinane-2-thione has a molecular weight of 132.19 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-diazinane-2-thione is sourced from PubChem (CID 3574639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).