2,3-dipropyl-2,3-dihydrothiophene

C10H18S — CID 57085985

IUPAC2,3-dipropyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1CCC
InChIInChI=1S/C10H18S/c1-3-5-9-7-8-11-10(9)6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyPQRRBNKWAFQXJP-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds4

About 2,3-dipropyl-2,3-dihydrothiophene

2,3-dipropyl-2,3-dihydrothiophene (PubChem CID 57085985) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,3-dipropyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2,3-dipropyl-2,3-dihydrothiophene
PubChem CID57085985
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,3-dipropyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1CCC
InChIInChI=1S/C10H18S/c1-3-5-9-7-8-11-10(9)6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyPQRRBNKWAFQXJP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Octyl-2,3-dihydrothiophene
CID 15482765
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butylsulfanyl-5-methyl-3-prop-2-enylselenolane
CID 134989037
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985191
Thiophene, tetrahydro-2-(1-methyl-2-propenyl)-
CID 12297805

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-2,3-dihydrothiophene?
The IUPAC name of 2,3-dipropyl-2,3-dihydrothiophene (CID 57085985) is 2,3-dipropyl-2,3-dihydrothiophene.
What is the SMILES notation for 2,3-dipropyl-2,3-dihydrothiophene?
The canonical SMILES for 2,3-dipropyl-2,3-dihydrothiophene is CCCC1C=CSC1CCC.
What is the InChIKey of 2,3-dipropyl-2,3-dihydrothiophene?
The InChIKey is PQRRBNKWAFQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-3-5-9-7-8-11-10(9)6-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,3-dipropyl-2,3-dihydrothiophene?
2,3-dipropyl-2,3-dihydrothiophene has a molecular weight of 170.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-2,3-dihydrothiophene is sourced from PubChem (CID 57085985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).