3-propyl-2,3-dihydrothiophene

C7H12S — CID 57228510

IUPAC3-propyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1
InChIInChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMQBBRRLZIHLXNS-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.66
Rot. Bonds2

About 3-propyl-2,3-dihydrothiophene

3-propyl-2,3-dihydrothiophene (PubChem CID 57228510) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 3-propyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-propyl-2,3-dihydrothiophene
PubChem CID57228510
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name3-propyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1
InChIInChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMQBBRRLZIHLXNS-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiabicyclo[3.2,0]hept-3-ene
CID 12286805
3-Prop-2-enylthiolane
CID 12759728
3-methyl-3,4-dihydro-2H-thiopyran
CID 14223540
(s)-2-Methyl-2-vinyl-tetrahydro-thiophene
CID 129828078
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 134996658
Thiophene, tetrahydro-2-(1-methyl-2-propenyl)-
CID 12297805
(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene
CID 15939346
2,3-Dimethyl-2,3-dihydrothiophene
CID 18975102
2-Ethyl-2,3-dihydrothiophene
CID 19891302
3-Methyl-2,3-dihydrothiophene
CID 20373740
3,4-dimethyl-3,4-dihydro-2H-thiopyran
CID 20475567

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,3-dihydrothiophene?
The IUPAC name of 3-propyl-2,3-dihydrothiophene (CID 57228510) is 3-propyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-propyl-2,3-dihydrothiophene?
The canonical SMILES for 3-propyl-2,3-dihydrothiophene is CCCC1C=CSC1.
What is the InChIKey of 3-propyl-2,3-dihydrothiophene?
The InChIKey is MQBBRRLZIHLXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-propyl-2,3-dihydrothiophene?
3-propyl-2,3-dihydrothiophene has a molecular weight of 128.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,3-dihydrothiophene is sourced from PubChem (CID 57228510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).