1-(1,3-oxathiolan-2-yl)imidazole

C6H8N2OS — CID 57322173

IUPAC1-(1,3-oxathiolan-2-yl)imidazole
SMILESc1cn(C2OCCS2)cn1
InChIInChI=1S/C6H8N2OS/c1-2-8(5-7-1)6-9-3-4-10-6/h1-2,5-6H,3-4H2
InChIKeyCWCAWGKDNBSAJW-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.10
Rot. Bonds1

About 1-(1,3-oxathiolan-2-yl)imidazole

1-(1,3-oxathiolan-2-yl)imidazole (PubChem CID 57322173) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(1,3-oxathiolan-2-yl)imidazole.

Molecular Properties

Compound Name1-(1,3-oxathiolan-2-yl)imidazole
PubChem CID57322173
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(1,3-oxathiolan-2-yl)imidazole
SMILESc1cn(C2OCCS2)cn1
InChIInChI=1S/C6H8N2OS/c1-2-8(5-7-1)6-9-3-4-10-6/h1-2,5-6H,3-4H2
InChIKeyCWCAWGKDNBSAJW-UHFFFAOYSA-N
XLogP1.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-ethyl imidazole-1-carbothioate;hydrochloride
CID 53303159
2-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)ethan-1-ol
CID 43502621
2-Chloro-1-ethoxymethylimidazole
CID 2773326
1-Ethoxymethyl-2-iodoimidazole
CID 2773407
O-propyl imidazole-1-carbothioate;hydrochloride
CID 122182173
1-(1-ethoxyethyl)-1H-imidazole
CID 12922721
1-(Ethoxymethyl)-1H-imidazole
CID 13019449
1-Propoxymethylimidazole
CID 85606150
3-Ethoxymethyl-1-methylimidazolium chloride
CID 87942521
O-ethyl imidazole-1-carbothioate
CID 13161484
O-Propyl 1H-imidazole-1-carbothioate
CID 24885295
Trimethyl-[2-[[2-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-lambda4-sulfane
CID 134380724

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxathiolan-2-yl)imidazole?
The IUPAC name of 1-(1,3-oxathiolan-2-yl)imidazole (CID 57322173) is 1-(1,3-oxathiolan-2-yl)imidazole.
What is the SMILES notation for 1-(1,3-oxathiolan-2-yl)imidazole?
The canonical SMILES for 1-(1,3-oxathiolan-2-yl)imidazole is c1cn(C2OCCS2)cn1.
What is the InChIKey of 1-(1,3-oxathiolan-2-yl)imidazole?
The InChIKey is CWCAWGKDNBSAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-8(5-7-1)6-9-3-4-10-6/h1-2,5-6H,3-4H2.
What are the key properties of 1-(1,3-oxathiolan-2-yl)imidazole?
1-(1,3-oxathiolan-2-yl)imidazole has a molecular weight of 156.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxathiolan-2-yl)imidazole is sourced from PubChem (CID 57322173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).