2-(cyclopropylmethyl)-2,3-dihydrothiophene

C8H12S — CID 57301880

IUPAC2-(cyclopropylmethyl)-2,3-dihydrothiophene
SMILESC1=CSC(CC2CC2)C1
InChIInChI=1S/C8H12S/c1-2-8(9-5-1)6-7-3-4-7/h1,5,7-8H,2-4,6H2
InChIKeyOUGPTCNFYNIQCE-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.81
Rot. Bonds2

About 2-(cyclopropylmethyl)-2,3-dihydrothiophene

2-(cyclopropylmethyl)-2,3-dihydrothiophene (PubChem CID 57301880) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2,3-dihydrothiophene
PubChem CID57301880
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-(cyclopropylmethyl)-2,3-dihydrothiophene
SMILESC1=CSC(CC2CC2)C1
InChIInChI=1S/C8H12S/c1-2-8(9-5-1)6-7-3-4-7/h1,5,7-8H,2-4,6H2
InChIKeyOUGPTCNFYNIQCE-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(cyclopropylmethyl)-2,3-dihydrothiophene (CID 57301880) is 2-(cyclopropylmethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(cyclopropylmethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(cyclopropylmethyl)-2,3-dihydrothiophene is C1=CSC(CC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-2,3-dihydrothiophene?
The InChIKey is OUGPTCNFYNIQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-8(9-5-1)6-7-3-4-7/h1,5,7-8H,2-4,6H2.
What are the key properties of 2-(cyclopropylmethyl)-2,3-dihydrothiophene?
2-(cyclopropylmethyl)-2,3-dihydrothiophene has a molecular weight of 140.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 57301880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).