oxolane;thiourea

C5H12N2OS — CID 158974032

IUPACoxolane;thiourea
SMILESC1CCOC1.NC(N)=S
InChIInChI=1S/C4H8O.CH4N2S/c1-2-4-5-3-1;2-1(3)4/h1-4H2;(H4,2,3,4)
InChIKeyJODSTFDKWFTHCS-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.01
Rot. Bonds

About oxolane;thiourea

oxolane;thiourea (PubChem CID 158974032) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is oxolane;thiourea.

Molecular Properties

Compound Nameoxolane;thiourea
PubChem CID158974032
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Nameoxolane;thiourea
SMILESC1CCOC1.NC(N)=S
InChIInChI=1S/C4H8O.CH4N2S/c1-2-4-5-3-1;2-1(3)4/h1-4H2;(H4,2,3,4)
InChIKeyJODSTFDKWFTHCS-UHFFFAOYSA-N
XLogP-0.01
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
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CID 15446458
carbamodithioic acid;1,4-dioxane
CID 162121429
hydrazine;oxolane;hydrate
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oxolane;oxonane
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manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508

Frequently Asked Questions

What is the IUPAC name of oxolane;thiourea?
The IUPAC name of oxolane;thiourea (CID 158974032) is oxolane;thiourea.
What is the SMILES notation for oxolane;thiourea?
The canonical SMILES for oxolane;thiourea is C1CCOC1.NC(N)=S.
What is the InChIKey of oxolane;thiourea?
The InChIKey is JODSTFDKWFTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH4N2S/c1-2-4-5-3-1;2-1(3)4/h1-4H2;(H4,2,3,4).
What are the key properties of oxolane;thiourea?
oxolane;thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;thiourea is sourced from PubChem (CID 158974032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).