3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene

C12H16S — CID 58586605

IUPAC3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene
SMILESC=C(C)c1sc(C(=C)C)c(C)c1C
InChIInChI=1S/C12H16S/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h1,3H2,2,4-6H3
InChIKeyHHPCMOYWZXNLMD-UHFFFAOYSA-N
MW192.33 g/mol
LogP4.43
Rot. Bonds2

About 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene

3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene (PubChem CID 58586605) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene.

Molecular Properties

Compound Name3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene
PubChem CID58586605
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene
SMILESC=C(C)c1sc(C(=C)C)c(C)c1C
InChIInChI=1S/C12H16S/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h1,3H2,2,4-6H3
InChIKeyHHPCMOYWZXNLMD-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene?
The IUPAC name of 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene (CID 58586605) is 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene.
What is the SMILES notation for 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene?
The canonical SMILES for 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene is C=C(C)c1sc(C(=C)C)c(C)c1C.
What is the InChIKey of 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene?
The InChIKey is HHPCMOYWZXNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-7(2)11-9(5)10(6)12(13-11)8(3)4/h1,3H2,2,4-6H3.
What are the key properties of 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene?
3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene has a molecular weight of 192.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene is sourced from PubChem (CID 58586605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).