2-(2,2-diethoxyethylsulfanyl)thiophene

C10H16O2S2 — CID 12623867

IUPAC2-(2,2-diethoxyethylsulfanyl)thiophene
SMILESCCOC(CSc1cccs1)OCC
InChIInChI=1S/C10H16O2S2/c1-3-11-9(12-4-2)8-14-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyGQYYZRGMNKLHSK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.24
Rot. Bonds7

About 2-(2,2-diethoxyethylsulfanyl)thiophene

2-(2,2-diethoxyethylsulfanyl)thiophene (PubChem CID 12623867) has the molecular formula C10H16O2S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)thiophene
PubChem CID12623867
Molecular FormulaC10H16O2S2
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name2-(2,2-diethoxyethylsulfanyl)thiophene
SMILESCCOC(CSc1cccs1)OCC
InChIInChI=1S/C10H16O2S2/c1-3-11-9(12-4-2)8-14-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyGQYYZRGMNKLHSK-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-2-ylsulfanylpentan-2-amine
CID 64615474
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821282
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098628
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
2-(3,3-diethoxypropoxymethyl)thiophene
CID 63630148
2-methyl-1-thiophen-2-ylsulfanylbutan-2-ol
CID 114496150
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
CID 64615696
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsulfanyl)thiophene?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)thiophene (CID 12623867) is 2-(2,2-diethoxyethylsulfanyl)thiophene.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)thiophene?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)thiophene is CCOC(CSc1cccs1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)thiophene?
The InChIKey is GQYYZRGMNKLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S2/c1-3-11-9(12-4-2)8-14-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)thiophene?
2-(2,2-diethoxyethylsulfanyl)thiophene has a molecular weight of 232.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)thiophene is sourced from PubChem (CID 12623867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).