2-hydroxyethyl formate;thiophene

C7H10O3S — CID 175133495

IUPAC2-hydroxyethyl formate;thiophene
SMILESO=COCCO.c1ccsc1
InChIInChI=1S/C4H4S.C3H6O3/c1-2-4-5-3-1;4-1-2-6-3-5/h1-4H;3-4H,1-2H2
InChIKeyHVYWGHKYCWOMLS-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.90
Rot. Bonds3

About 2-hydroxyethyl formate;thiophene

2-hydroxyethyl formate;thiophene (PubChem CID 175133495) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-hydroxyethyl formate;thiophene.

Molecular Properties

Compound Name2-hydroxyethyl formate;thiophene
PubChem CID175133495
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name2-hydroxyethyl formate;thiophene
SMILESO=COCCO.c1ccsc1
InChIInChI=1S/C4H4S.C3H6O3/c1-2-4-5-3-1;4-1-2-6-3-5/h1-4H;3-4H,1-2H2
InChIKeyHVYWGHKYCWOMLS-UHFFFAOYSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;thiophene
CID 175359446
propan-1-ol;propyl formate
CID 19366236
2-iodoethyl formate
CID 18329598
3-(2-hydroxyethoxy)butyl formate
CID 88906039
benzene;butyl formate;formic acid
CID 174830214
bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 59861691
[4-hydroxy-3,3-bis(hydroxymethyl)butyl] formate
CID 87346311
2-(5-hydroxypentylamino)ethyl formate
CID 138728311
2-(2-ethoxyethoxy)ethanol;piperidine;thiophene
CID 157368980
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
N-(2-hydroxyethoxy)formamide
CID 57258279

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl formate;thiophene?
The IUPAC name of 2-hydroxyethyl formate;thiophene (CID 175133495) is 2-hydroxyethyl formate;thiophene.
What is the SMILES notation for 2-hydroxyethyl formate;thiophene?
The canonical SMILES for 2-hydroxyethyl formate;thiophene is O=COCCO.c1ccsc1.
What is the InChIKey of 2-hydroxyethyl formate;thiophene?
The InChIKey is HVYWGHKYCWOMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H6O3/c1-2-4-5-3-1;4-1-2-6-3-5/h1-4H;3-4H,1-2H2.
What are the key properties of 2-hydroxyethyl formate;thiophene?
2-hydroxyethyl formate;thiophene has a molecular weight of 174.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl formate;thiophene is sourced from PubChem (CID 175133495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).