2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran

C11H20OS — CID 129082860

IUPAC2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran
SMILESCCCCSC1OC=CC1C(C)C
InChIInChI=1S/C11H20OS/c1-4-5-8-13-11-10(9(2)3)6-7-12-11/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyFTNFEIGKIOKRAW-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.66
Rot. Bonds5

About 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran

2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran (PubChem CID 129082860) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran
PubChem CID129082860
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran
SMILESCCCCSC1OC=CC1C(C)C
InChIInChI=1S/C11H20OS/c1-4-5-8-13-11-10(9(2)3)6-7-12-11/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyFTNFEIGKIOKRAW-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran?
The IUPAC name of 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran (CID 129082860) is 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran?
The canonical SMILES for 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran is CCCCSC1OC=CC1C(C)C.
What is the InChIKey of 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran?
The InChIKey is FTNFEIGKIOKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-5-8-13-11-10(9(2)3)6-7-12-11/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran?
2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran has a molecular weight of 200.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-3-propan-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 129082860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).