3-propan-2-yl-2,3-dihydrothiophene

C7H12S — CID 56987677

IUPAC3-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)C1C=CSC1
InChIInChI=1S/C7H12S/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMHHWRXDNTPJXKG-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.52
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydrothiophene

3-propan-2-yl-2,3-dihydrothiophene (PubChem CID 56987677) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydrothiophene
PubChem CID56987677
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name3-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)C1C=CSC1
InChIInChI=1S/C7H12S/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMHHWRXDNTPJXKG-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 3-propan-2-yl-2,3-dihydrothiophene (CID 56987677) is 3-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 3-propan-2-yl-2,3-dihydrothiophene is CC(C)C1C=CSC1.
What is the InChIKey of 3-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is MHHWRXDNTPJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-6(2)7-3-4-8-5-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydrothiophene?
3-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 128.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 56987677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).