3-(ethoxysulfanyloxymethyl)thiophene

C7H10O2S2 — CID 175087369

IUPAC3-(ethoxysulfanyloxymethyl)thiophene
SMILESCCOSOCc1ccsc1
InChIInChI=1S/C7H10O2S2/c1-2-8-11-9-5-7-3-4-10-6-7/h3-4,6H,2,5H2,1H3
InChIKeyNHBGWRITYWZHQA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.86
Rot. Bonds5

About 3-(ethoxysulfanyloxymethyl)thiophene

3-(ethoxysulfanyloxymethyl)thiophene (PubChem CID 175087369) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(ethoxysulfanyloxymethyl)thiophene.

Molecular Properties

Compound Name3-(ethoxysulfanyloxymethyl)thiophene
PubChem CID175087369
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name3-(ethoxysulfanyloxymethyl)thiophene
SMILESCCOSOCc1ccsc1
InChIInChI=1S/C7H10O2S2/c1-2-8-11-9-5-7-3-4-10-6-7/h3-4,6H,2,5H2,1H3
InChIKeyNHBGWRITYWZHQA-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propan-2-yloxymethyl)thiophene
CID 146745191
azane;3-propylthiophene
CID 174446539
S-(thiophen-3-ylmethyl) ethanethioate
CID 54410946
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
3-(2-ethylbutyl)thiophene
CID 89133993
ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
CID 70050788
3-(4-methoxypent-3-enyl)thiophene
CID 163190308
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxysulfanyloxymethyl)thiophene?
The IUPAC name of 3-(ethoxysulfanyloxymethyl)thiophene (CID 175087369) is 3-(ethoxysulfanyloxymethyl)thiophene.
What is the SMILES notation for 3-(ethoxysulfanyloxymethyl)thiophene?
The canonical SMILES for 3-(ethoxysulfanyloxymethyl)thiophene is CCOSOCc1ccsc1.
What is the InChIKey of 3-(ethoxysulfanyloxymethyl)thiophene?
The InChIKey is NHBGWRITYWZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-2-8-11-9-5-7-3-4-10-6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-(ethoxysulfanyloxymethyl)thiophene?
3-(ethoxysulfanyloxymethyl)thiophene has a molecular weight of 190.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxysulfanyloxymethyl)thiophene is sourced from PubChem (CID 175087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).