3,4-dimethoxy-2-methylthiophene

C7H10O2S — CID 19760688

IUPAC3,4-dimethoxy-2-methylthiophene
SMILESCOc1csc(C)c1OC
InChIInChI=1S/C7H10O2S/c1-5-7(9-3)6(8-2)4-10-5/h4H,1-3H3
InChIKeyYYRFGDNTJUYNHM-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.07
Rot. Bonds2

About 3,4-dimethoxy-2-methylthiophene

3,4-dimethoxy-2-methylthiophene (PubChem CID 19760688) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 3,4-dimethoxy-2-methylthiophene.

Molecular Properties

Compound Name3,4-dimethoxy-2-methylthiophene
PubChem CID19760688
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name3,4-dimethoxy-2-methylthiophene
SMILESCOc1csc(C)c1OC
InChIInChI=1S/C7H10O2S/c1-5-7(9-3)6(8-2)4-10-5/h4H,1-3H3
InChIKeyYYRFGDNTJUYNHM-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
Thiophene, 3-methoxy-2,5-dimethyl-
CID 143484
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3,4-Dimethoxy-2-(trifluoromethyl)thiophene
CID 91394201
4-Methoxy-2-methylthiophene
CID 13061860
4-Methoxy-2,3-dimethylthiophene
CID 13061861
3,4-Dimethoxy-2,5-dimethylthiophene
CID 15640918
4-Methoxy-2-methylthiophene-3-sulfonyl chloride
CID 18769957
3-Bromo-4-methoxy-2-methylthiophene
CID 18769975
(3,4-Dimethoxythiophen-2-yl)methanol
CID 20360507
2,3,5,7-Tetramethylthieno[3,4-b][1,4]dioxine
CID 23561668

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-methylthiophene?
The IUPAC name of 3,4-dimethoxy-2-methylthiophene (CID 19760688) is 3,4-dimethoxy-2-methylthiophene.
What is the SMILES notation for 3,4-dimethoxy-2-methylthiophene?
The canonical SMILES for 3,4-dimethoxy-2-methylthiophene is COc1csc(C)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-methylthiophene?
The InChIKey is YYRFGDNTJUYNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-5-7(9-3)6(8-2)4-10-5/h4H,1-3H3.
What are the key properties of 3,4-dimethoxy-2-methylthiophene?
3,4-dimethoxy-2-methylthiophene has a molecular weight of 158.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-methylthiophene is sourced from PubChem (CID 19760688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).