2-ethyl-5-(methylsulfanylmethyl)thiophene

C8H12S2 — CID 54083779

IUPAC2-ethyl-5-(methylsulfanylmethyl)thiophene
SMILESCCc1ccc(CSC)s1
InChIInChI=1S/C8H12S2/c1-3-7-4-5-8(10-7)6-9-2/h4-5H,3,6H2,1-2H3
InChIKeyMOYUQTSBTKNJTC-UHFFFAOYSA-N
MW172.32 g/mol
LogP3.17
Rot. Bonds3

About 2-ethyl-5-(methylsulfanylmethyl)thiophene

2-ethyl-5-(methylsulfanylmethyl)thiophene (PubChem CID 54083779) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-ethyl-5-(methylsulfanylmethyl)thiophene.

Molecular Properties

Compound Name2-ethyl-5-(methylsulfanylmethyl)thiophene
PubChem CID54083779
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2-ethyl-5-(methylsulfanylmethyl)thiophene
SMILESCCc1ccc(CSC)s1
InChIInChI=1S/C8H12S2/c1-3-7-4-5-8(10-7)6-9-2/h4-5H,3,6H2,1-2H3
InChIKeyMOYUQTSBTKNJTC-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethylthiophene
CID 521294
2-(methylsulfanylmethyl)-5-pentylthiophene
CID 172739134
2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
S-(5-ethylthiophen-2-yl)thiohydroxylamine
CID 142237566
5-[(5-ethylthiophen-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302216
2-dodecyl-5-ethylthiophene
CID 528251
2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid
CID 64926971
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 114967820
2-ethyl-5-hex-3-ynylthiophene
CID 83929425
1-[(5-ethylthiophen-2-yl)methyl]pyrrole
CID 63810482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methylsulfanylmethyl)thiophene?
The IUPAC name of 2-ethyl-5-(methylsulfanylmethyl)thiophene (CID 54083779) is 2-ethyl-5-(methylsulfanylmethyl)thiophene.
What is the SMILES notation for 2-ethyl-5-(methylsulfanylmethyl)thiophene?
The canonical SMILES for 2-ethyl-5-(methylsulfanylmethyl)thiophene is CCc1ccc(CSC)s1.
What is the InChIKey of 2-ethyl-5-(methylsulfanylmethyl)thiophene?
The InChIKey is MOYUQTSBTKNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-3-7-4-5-8(10-7)6-9-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-5-(methylsulfanylmethyl)thiophene?
2-ethyl-5-(methylsulfanylmethyl)thiophene has a molecular weight of 172.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methylsulfanylmethyl)thiophene is sourced from PubChem (CID 54083779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).