1-(oxolan-2-yl)ethylthiourea

C7H14N2OS — CID 43533883

IUPAC1-(oxolan-2-yl)ethylthiourea
SMILESCC(NC(N)=S)C1CCCO1
InChIInChI=1S/C7H14N2OS/c1-5(9-7(8)11)6-3-2-4-10-6/h5-6H,2-4H2,1H3,(H3,8,9,11)
InChIKeyRKAJYMHLYQXBGC-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.39
Rot. Bonds2

About 1-(oxolan-2-yl)ethylthiourea

1-(oxolan-2-yl)ethylthiourea (PubChem CID 43533883) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)ethylthiourea.

Molecular Properties

Compound Name1-(oxolan-2-yl)ethylthiourea
PubChem CID43533883
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-(oxolan-2-yl)ethylthiourea
SMILESCC(NC(N)=S)C1CCCO1
InChIInChI=1S/C7H14N2OS/c1-5(9-7(8)11)6-3-2-4-10-6/h5-6H,2-4H2,1H3,(H3,8,9,11)
InChIKeyRKAJYMHLYQXBGC-UHFFFAOYSA-N
XLogP0.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.39
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-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 104881996
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-amino-N-[1-(oxolan-2-yl)ethyl]butanediamide
CID 60848182
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675893

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)ethylthiourea?
The IUPAC name of 1-(oxolan-2-yl)ethylthiourea (CID 43533883) is 1-(oxolan-2-yl)ethylthiourea.
What is the SMILES notation for 1-(oxolan-2-yl)ethylthiourea?
The canonical SMILES for 1-(oxolan-2-yl)ethylthiourea is CC(NC(N)=S)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)ethylthiourea?
The InChIKey is RKAJYMHLYQXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-5(9-7(8)11)6-3-2-4-10-6/h5-6H,2-4H2,1H3,(H3,8,9,11).
What are the key properties of 1-(oxolan-2-yl)ethylthiourea?
1-(oxolan-2-yl)ethylthiourea has a molecular weight of 174.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)ethylthiourea is sourced from PubChem (CID 43533883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).