(3S)-4-methylidenethiolan-3-ol

C5H8OS — CID 89323981

IUPAC(3S)-4-methylidenethiolan-3-ol
SMILESC=C1CSC[C@H]1O
InChIInChI=1S/C5H8OS/c1-4-2-7-3-5(4)6/h5-6H,1-3H2/t5-/m1/s1
InChIKeyGZRZVQMUTVGRBF-RXMQYKEDSA-N
MW116.19 g/mol
LogP0.65
Rot. Bonds

About (3S)-4-methylidenethiolan-3-ol

(3S)-4-methylidenethiolan-3-ol (PubChem CID 89323981) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is (3S)-4-methylidenethiolan-3-ol.

Molecular Properties

Compound Name(3S)-4-methylidenethiolan-3-ol
PubChem CID89323981
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name(3S)-4-methylidenethiolan-3-ol
SMILESC=C1CSC[C@H]1O
InChIInChI=1S/C5H8OS/c1-4-2-7-3-5(4)6/h5-6H,1-3H2/t5-/m1/s1
InChIKeyGZRZVQMUTVGRBF-RXMQYKEDSA-N
XLogP0.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methylidenethiolan-3-ol?
The IUPAC name of (3S)-4-methylidenethiolan-3-ol (CID 89323981) is (3S)-4-methylidenethiolan-3-ol.
What is the SMILES notation for (3S)-4-methylidenethiolan-3-ol?
The canonical SMILES for (3S)-4-methylidenethiolan-3-ol is C=C1CSC[C@H]1O.
What is the InChIKey of (3S)-4-methylidenethiolan-3-ol?
The InChIKey is GZRZVQMUTVGRBF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8OS/c1-4-2-7-3-5(4)6/h5-6H,1-3H2/t5-/m1/s1.
What are the key properties of (3S)-4-methylidenethiolan-3-ol?
(3S)-4-methylidenethiolan-3-ol has a molecular weight of 116.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methylidenethiolan-3-ol is sourced from PubChem (CID 89323981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).