2-cyclopropyl-2-methyl-3H-thiophene

C8H12S — CID 129270825

IUPAC2-cyclopropyl-2-methyl-3H-thiophene
SMILESCC1(C2CC2)CC=CS1
InChIInChI=1S/C8H12S/c1-8(7-3-4-7)5-2-6-9-8/h2,6-7H,3-5H2,1H3
InChIKeyDYKJOMGPAZHACE-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.81
Rot. Bonds1

About 2-cyclopropyl-2-methyl-3H-thiophene

2-cyclopropyl-2-methyl-3H-thiophene (PubChem CID 129270825) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3H-thiophene.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3H-thiophene
PubChem CID129270825
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-cyclopropyl-2-methyl-3H-thiophene
SMILESCC1(C2CC2)CC=CS1
InChIInChI=1S/C8H12S/c1-8(7-3-4-7)5-2-6-9-8/h2,6-7H,3-5H2,1H3
InChIKeyDYKJOMGPAZHACE-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
CID 129270932
Thiophene, tetrahydro-2-(1-methyl-2-propenyl)-
CID 12297805
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
3-(2-Methylpropyl)-2,3-dihydrothiophene
CID 57025719
2,3-Dipropyl-2,3-dihydrothiophene
CID 57085985
2,3-Diethyl-2,3-dihydrothiophene
CID 57188312
3-Butyl-2,3-dihydrothiophene
CID 57240423
2-(Cyclopropylmethyl)-2,3-dihydrothiophene
CID 57301880
2,2-di(propan-2-yl)-3H-thiophene
CID 58055958
2,3-Dimethyl-2,3,4,5-tetrahydrothiepine
CID 58293735
2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 58469207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3H-thiophene?
The IUPAC name of 2-cyclopropyl-2-methyl-3H-thiophene (CID 129270825) is 2-cyclopropyl-2-methyl-3H-thiophene.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3H-thiophene?
The canonical SMILES for 2-cyclopropyl-2-methyl-3H-thiophene is CC1(C2CC2)CC=CS1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3H-thiophene?
The InChIKey is DYKJOMGPAZHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-8(7-3-4-7)5-2-6-9-8/h2,6-7H,3-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-3H-thiophene?
2-cyclopropyl-2-methyl-3H-thiophene has a molecular weight of 140.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3H-thiophene is sourced from PubChem (CID 129270825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).