2,2-dimethyl-3H-thiophene

C6H10S — CID 57111226

IUPAC2,2-dimethyl-3H-thiophene
SMILESCC1(C)CC=CS1
InChIInChI=1S/C6H10S/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3
InChIKeyWSRYVCGPJDBFNB-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.42
Rot. Bonds

About 2,2-dimethyl-3H-thiophene

2,2-dimethyl-3H-thiophene (PubChem CID 57111226) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2,2-dimethyl-3H-thiophene.

Molecular Properties

Compound Name2,2-dimethyl-3H-thiophene
PubChem CID57111226
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2,2-dimethyl-3H-thiophene
SMILESCC1(C)CC=CS1
InChIInChI=1S/C6H10S/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3
InChIKeyWSRYVCGPJDBFNB-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-thiophene?
The IUPAC name of 2,2-dimethyl-3H-thiophene (CID 57111226) is 2,2-dimethyl-3H-thiophene.
What is the SMILES notation for 2,2-dimethyl-3H-thiophene?
The canonical SMILES for 2,2-dimethyl-3H-thiophene is CC1(C)CC=CS1.
What is the InChIKey of 2,2-dimethyl-3H-thiophene?
The InChIKey is WSRYVCGPJDBFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-6(2)4-3-5-7-6/h3,5H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-thiophene?
2,2-dimethyl-3H-thiophene has a molecular weight of 114.21 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-thiophene is sourced from PubChem (CID 57111226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).