(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane

C10H18O2S — CID 129402242

IUPAC(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
SMILESC1CO[C@@H](CSC[C@@H]2CCCO2)C1
InChIInChI=1S/C10H18O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h9-10H,1-8H2/t9-,10+
InChIKeyXCKUUPMFEBDDTN-AOOOYVTPSA-N
MW202.32 g/mol
LogP2.08
Rot. Bonds4

About (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane

(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane (PubChem CID 129402242) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
PubChem CID129402242
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
SMILESC1CO[C@@H](CSC[C@@H]2CCCO2)C1
InChIInChI=1S/C10H18O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h9-10H,1-8H2/t9-,10+
InChIKeyXCKUUPMFEBDDTN-AOOOYVTPSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
CID 106495448
10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
CID 177221877
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
(E)-4-(oxolan-2-ylmethylsulfanyl)but-2-enoic acid
CID 106493630
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane?
The IUPAC name of (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane (CID 129402242) is (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane.
What is the SMILES notation for (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane?
The canonical SMILES for (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane is C1CO[C@@H](CSC[C@@H]2CCCO2)C1.
What is the InChIKey of (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane?
The InChIKey is XCKUUPMFEBDDTN-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h9-10H,1-8H2/t9-,10+.
What are the key properties of (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane?
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane has a molecular weight of 202.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane is sourced from PubChem (CID 129402242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).