4,5-dimethyl-2-methylidene-3H-thiophene

C7H10S — CID 18339226

IUPAC4,5-dimethyl-2-methylidene-3H-thiophene
SMILESC=C1CC(C)=C(C)S1
InChIInChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h2,4H2,1,3H3
InChIKeyVCQSXMFVMRORPG-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.93
Rot. Bonds

About 4,5-dimethyl-2-methylidene-3H-thiophene

4,5-dimethyl-2-methylidene-3H-thiophene (PubChem CID 18339226) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-methylidene-3H-thiophene.

Molecular Properties

Compound Name4,5-dimethyl-2-methylidene-3H-thiophene
PubChem CID18339226
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name4,5-dimethyl-2-methylidene-3H-thiophene
SMILESC=C1CC(C)=C(C)S1
InChIInChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h2,4H2,1,3H3
InChIKeyVCQSXMFVMRORPG-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Diethyl-2,5-dihydro-thiophene, stereoisomer 1
CID 91750811
2,4-Dimethyl-2,5-dihydrothiophene
CID 20285741
3-Ethyl-2,5-dihydrothiophene
CID 23165569
3,5,5-trimethyl-2H-thiophene
CID 54333712
3-Propyl-2,5-dihydrothiophene
CID 57182314
3-Ethyl-2,5-dimethylidenethiophene
CID 68191138
2,3-Dimethyl-4,5-dimethylidenethiophene
CID 91270080
2-Ethylidene-5-methyl-3-methylidene-4-prop-1-enylthiophene
CID 123164145
2-Ethyl-3-methyl-2,5-dihydrothiophene
CID 123317277
5-Methyl-2,3-dimethylidenethiophene
CID 123325824
(4Z)-4-ethylidene-2-methylthiolane
CID 126515375
(E)-2-but-1-en-2-ylsulfanyl-3-methylhex-2-ene
CID 137428976

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-methylidene-3H-thiophene?
The IUPAC name of 4,5-dimethyl-2-methylidene-3H-thiophene (CID 18339226) is 4,5-dimethyl-2-methylidene-3H-thiophene.
What is the SMILES notation for 4,5-dimethyl-2-methylidene-3H-thiophene?
The canonical SMILES for 4,5-dimethyl-2-methylidene-3H-thiophene is C=C1CC(C)=C(C)S1.
What is the InChIKey of 4,5-dimethyl-2-methylidene-3H-thiophene?
The InChIKey is VCQSXMFVMRORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h2,4H2,1,3H3.
What are the key properties of 4,5-dimethyl-2-methylidene-3H-thiophene?
4,5-dimethyl-2-methylidene-3H-thiophene has a molecular weight of 126.22 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-methylidene-3H-thiophene is sourced from PubChem (CID 18339226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).