(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan

C11H20OS — CID 173382775

IUPAC(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan
SMILESCCCCS[C@@]1(C)C=C(C)OC1C
InChIInChI=1S/C11H20OS/c1-5-6-7-13-11(4)8-9(2)12-10(11)3/h8,10H,5-7H2,1-4H3/t10?,11-/m0/s1
InChIKeyLDTQHKMUECKTQF-DTIOYNMSSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds4

About (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan

(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan (PubChem CID 173382775) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan.

Molecular Properties

Compound Name(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan
PubChem CID173382775
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan
SMILESCCCCS[C@@]1(C)C=C(C)OC1C
InChIInChI=1S/C11H20OS/c1-5-6-7-13-11(4)8-9(2)12-10(11)3/h8,10H,5-7H2,1-4H3/t10?,11-/m0/s1
InChIKeyLDTQHKMUECKTQF-DTIOYNMSSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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 (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan?
The IUPAC name of (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan (CID 173382775) is (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan.
What is the SMILES notation for (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan?
The canonical SMILES for (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan is CCCCS[C@@]1(C)C=C(C)OC1C.
What is the InChIKey of (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan?
The InChIKey is LDTQHKMUECKTQF-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H20OS/c1-5-6-7-13-11(4)8-9(2)12-10(11)3/h8,10H,5-7H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan?
(3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan has a molecular weight of 200.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butylsulfanyl-2,3,5-trimethyl-2H-furan is sourced from PubChem (CID 173382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).