3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol

C9H16O2S2 — CID 147897423

IUPAC3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol
SMILESC/C=C/S(=O)C1SC(O)C(C)C1C
InChIInChI=1S/C9H16O2S2/c1-4-5-13(11)9-7(3)6(2)8(10)12-9/h4-10H,1-3H3/b5-4+
InChIKeyIDOVIWLSZRBCNH-SNAWJCMRSA-N
MW220.36 g/mol
LogP1.93
Rot. Bonds2

About 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol

3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol (PubChem CID 147897423) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol
PubChem CID147897423
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol
SMILESC/C=C/S(=O)C1SC(O)C(C)C1C
InChIInChI=1S/C9H16O2S2/c1-4-5-13(11)9-7(3)6(2)8(10)12-9/h4-10H,1-3H3/b5-4+
InChIKeyIDOVIWLSZRBCNH-SNAWJCMRSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cepathiolane
CID 57345488
(2S,3R,4R,5S)-3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylsulfanylthiolan-2-ol
CID 46831285
(2R,3R,4R,5R)-3,4-dimethyl-1-oxo-5-[(E)-prop-1-enyl]sulfanylthiolan-2-ol
CID 102163078
(2S,3S,4R,5S)-3,4-dimethyl-1-oxo-5-[[(E)-prop-1-enyl]disulfanyl]thiolan-2-ol
CID 102283414
(2R,5S)-3,4-dimethyl-5-[(E)-prop-1-enyl]sulfanyloxythiolan-2-ol
CID 102312069
Ajothiolane
CID 177826625

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol?
The IUPAC name of 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol (CID 147897423) is 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol.
What is the SMILES notation for 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol?
The canonical SMILES for 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol is C/C=C/S(=O)C1SC(O)C(C)C1C.
What is the InChIKey of 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol?
The InChIKey is IDOVIWLSZRBCNH-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-4-5-13(11)9-7(3)6(2)8(10)12-9/h4-10H,1-3H3/b5-4+.
What are the key properties of 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol?
3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(E)-prop-1-enyl]sulfinylthiolan-2-ol is sourced from PubChem (CID 147897423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).