(1-thiophen-2-ylcyclopropyl) formate

C8H8O2S — CID 57171999

IUPAC(1-thiophen-2-ylcyclopropyl) formate
SMILESO=COC1(c2cccs2)CC1
InChIInChI=1S/C8H8O2S/c9-6-10-8(3-4-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyBEBSTTGCMVURHA-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.91
Rot. Bonds3

About (1-thiophen-2-ylcyclopropyl) formate

(1-thiophen-2-ylcyclopropyl) formate (PubChem CID 57171999) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is (1-thiophen-2-ylcyclopropyl) formate.

Molecular Properties

Compound Name(1-thiophen-2-ylcyclopropyl) formate
PubChem CID57171999
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name(1-thiophen-2-ylcyclopropyl) formate
SMILESO=COC1(c2cccs2)CC1
InChIInChI=1S/C8H8O2S/c9-6-10-8(3-4-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyBEBSTTGCMVURHA-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
CID 162405161
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
ethyl 3-oxo-2-(1-thiophen-2-ylcyclopropyl)propanoate
CID 19980429
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
1,3,6,8-tetramethyl-8a-thiophen-2-yl-4a,5-dihydro-4H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 102456167
1-thiophen-2-ylcyclopropane-1-carbothioamide
CID 112707006
dimethyl-(1-thiophen-2-ylcyclopentyl)phosphane
CID 175478695
4-thiophen-2-ylpiperidin-4-amine
CID 68912281
2-methyl-2-thiophen-2-ylcyclohexan-1-one
CID 54201898

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylcyclopropyl) formate?
The IUPAC name of (1-thiophen-2-ylcyclopropyl) formate (CID 57171999) is (1-thiophen-2-ylcyclopropyl) formate.
What is the SMILES notation for (1-thiophen-2-ylcyclopropyl) formate?
The canonical SMILES for (1-thiophen-2-ylcyclopropyl) formate is O=COC1(c2cccs2)CC1.
What is the InChIKey of (1-thiophen-2-ylcyclopropyl) formate?
The InChIKey is BEBSTTGCMVURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-6-10-8(3-4-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2.
What are the key properties of (1-thiophen-2-ylcyclopropyl) formate?
(1-thiophen-2-ylcyclopropyl) formate has a molecular weight of 168.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylcyclopropyl) formate is sourced from PubChem (CID 57171999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).