(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal

C9H12OS2 — CID 102046723

IUPAC(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal
SMILESCCS[C@H](CC=O)c1ccsc1
InChIInChI=1S/C9H12OS2/c1-2-12-9(3-5-10)8-4-6-11-7-8/h4-7,9H,2-3H2,1H3/t9-/m1/s1
InChIKeyGCAQMYBRHGMASZ-SECBINFHSA-N
MW200.33 g/mol
LogP3.13
Rot. Bonds5

About (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal

(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal (PubChem CID 102046723) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal.

Molecular Properties

Compound Name(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal
PubChem CID102046723
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal
SMILESCCS[C@H](CC=O)c1ccsc1
InChIInChI=1S/C9H12OS2/c1-2-12-9(3-5-10)8-4-6-11-7-8/h4-7,9H,2-3H2,1H3/t9-/m1/s1
InChIKeyGCAQMYBRHGMASZ-SECBINFHSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.13
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-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
CID 107748996
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
3-hexan-2-ylthiophene
CID 18454785
3-(4,4-dimethylhex-1-en-3-yl)thiophene
CID 146517196
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
2-dodecylsulfanyl-2-thiophen-3-ylacetic acid
CID 70855199
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
3-(1-bromobutyl)thiophene
CID 174787739
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine
CID 161014446

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal?
The IUPAC name of (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal (CID 102046723) is (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal.
What is the SMILES notation for (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal?
The canonical SMILES for (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal is CCS[C@H](CC=O)c1ccsc1.
What is the InChIKey of (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal?
The InChIKey is GCAQMYBRHGMASZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H12OS2/c1-2-12-9(3-5-10)8-4-6-11-7-8/h4-7,9H,2-3H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal?
(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal has a molecular weight of 200.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal is sourced from PubChem (CID 102046723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).