2-methyl-3-(2-methylbutylsulfanyl)furan

C10H16OS — CID 91705262

IUPAC2-methyl-3-(2-methylbutylsulfanyl)furan
SMILESCCC(C)CSc1ccoc1C
InChIInChI=1S/C10H16OS/c1-4-8(2)7-12-10-5-6-11-9(10)3/h5-6,8H,4,7H2,1-3H3
InChIKeyBPCVNFWIMVTFOL-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-3-(2-methylbutylsulfanyl)furan

2-methyl-3-(2-methylbutylsulfanyl)furan (PubChem CID 91705262) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylbutylsulfanyl)furan.

Molecular Properties

Compound Name2-methyl-3-(2-methylbutylsulfanyl)furan
PubChem CID91705262
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-methyl-3-(2-methylbutylsulfanyl)furan
SMILESCCC(C)CSc1ccoc1C
InChIInChI=1S/C10H16OS/c1-4-8(2)7-12-10-5-6-11-9(10)3/h5-6,8H,4,7H2,1-3H3
InChIKeyBPCVNFWIMVTFOL-UHFFFAOYSA-N
XLogP3.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780463
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784256
3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
CID 107784101
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylbutylsulfanyl)furan?
The IUPAC name of 2-methyl-3-(2-methylbutylsulfanyl)furan (CID 91705262) is 2-methyl-3-(2-methylbutylsulfanyl)furan.
What is the SMILES notation for 2-methyl-3-(2-methylbutylsulfanyl)furan?
The canonical SMILES for 2-methyl-3-(2-methylbutylsulfanyl)furan is CCC(C)CSc1ccoc1C.
What is the InChIKey of 2-methyl-3-(2-methylbutylsulfanyl)furan?
The InChIKey is BPCVNFWIMVTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-8(2)7-12-10-5-6-11-9(10)3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylbutylsulfanyl)furan?
2-methyl-3-(2-methylbutylsulfanyl)furan has a molecular weight of 184.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylbutylsulfanyl)furan is sourced from PubChem (CID 91705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).