ethane;2-ethyl-3,4-dimethylthiophene

C10H18S — CID 154656862

IUPACethane;2-ethyl-3,4-dimethylthiophene
SMILESCC.CCc1scc(C)c1C
InChIInChI=1S/C8H12S.C2H6/c1-4-8-7(3)6(2)5-9-8;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyNHMNNHOQFFBBLN-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.95
Rot. Bonds1

About ethane;2-ethyl-3,4-dimethylthiophene

ethane;2-ethyl-3,4-dimethylthiophene (PubChem CID 154656862) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is ethane;2-ethyl-3,4-dimethylthiophene.

Molecular Properties

Compound Nameethane;2-ethyl-3,4-dimethylthiophene
PubChem CID154656862
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Nameethane;2-ethyl-3,4-dimethylthiophene
SMILESCC.CCc1scc(C)c1C
InChIInChI=1S/C8H12S.C2H6/c1-4-8-7(3)6(2)5-9-8;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyNHMNNHOQFFBBLN-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-2-pentylthiophene
CID 151508596
2-heptyl-3,4-dimethylthiophene
CID 142681632
1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
CID 90764518
2-(3,4-dimethylthiophen-2-yl)ethanamine
CID 82648461
2-ethyl-3-methyl-4-(trifluoromethyl)thiophene
CID 162577149
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
(3-amino-4-methylthiophen-2-yl)methanol
CID 141480048
ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane
CID 142603315
2-[[5-(4,5-dimethylthiophen-2-yl)-2-methylthiophen-3-yl]methyl]-3,4-dimethylthiophene
CID 134244113
1-ethyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 141307299
1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine
CID 142603316
(2,4-dimethylthiophen-3-yl) propanoate
CID 57180264

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3,4-dimethylthiophene?
The IUPAC name of ethane;2-ethyl-3,4-dimethylthiophene (CID 154656862) is ethane;2-ethyl-3,4-dimethylthiophene.
What is the SMILES notation for ethane;2-ethyl-3,4-dimethylthiophene?
The canonical SMILES for ethane;2-ethyl-3,4-dimethylthiophene is CC.CCc1scc(C)c1C.
What is the InChIKey of ethane;2-ethyl-3,4-dimethylthiophene?
The InChIKey is NHMNNHOQFFBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C2H6/c1-4-8-7(3)6(2)5-9-8;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-3,4-dimethylthiophene?
ethane;2-ethyl-3,4-dimethylthiophene has a molecular weight of 170.32 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3,4-dimethylthiophene is sourced from PubChem (CID 154656862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).