1-(oxolan-2-ylmethylsulfanyl)butan-2-ol

C9H18O2S — CID 103579647

IUPAC1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
SMILESCCC(O)CSCC1CCCO1
InChIInChI=1S/C9H18O2S/c1-2-8(10)6-12-7-9-4-3-5-11-9/h8-10H,2-7H2,1H3
InChIKeyCYIRODMDCDTKRP-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.67
Rot. Bonds5

About 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol

1-(oxolan-2-ylmethylsulfanyl)butan-2-ol (PubChem CID 103579647) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
PubChem CID103579647
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
SMILESCCC(O)CSCC1CCCO1
InChIInChI=1S/C9H18O2S/c1-2-8(10)6-12-7-9-4-3-5-11-9/h8-10H,2-7H2,1H3
InChIKeyCYIRODMDCDTKRP-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106494643
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
3-ethyl-1-(oxolan-2-yl)pentan-2-ol
CID 65148329
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol?
The IUPAC name of 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol (CID 103579647) is 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol is CCC(O)CSCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol?
The InChIKey is CYIRODMDCDTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-2-8(10)6-12-7-9-4-3-5-11-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol?
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol has a molecular weight of 190.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfanyl)butan-2-ol is sourced from PubChem (CID 103579647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).