[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol

C11H12OS — CID 145118793

IUPAC[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol
SMILESC=Cc1cc(S)cc(CO)c1C=C
InChIInChI=1S/C11H12OS/c1-3-8-5-10(13)6-9(7-12)11(8)4-2/h3-6,12-13H,1-2,7H2
InChIKeyBBSIETYXLDRNNT-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.75
Rot. Bonds3

About [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol

[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol (PubChem CID 145118793) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol
PubChem CID145118793
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol
SMILESC=Cc1cc(S)cc(CO)c1C=C
InChIInChI=1S/C11H12OS/c1-3-8-5-10(13)6-9(7-12)11(8)4-2/h3-6,12-13H,1-2,7H2
InChIKeyBBSIETYXLDRNNT-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol?
The IUPAC name of [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol (CID 145118793) is [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol.
What is the SMILES notation for [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol?
The canonical SMILES for [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol is C=Cc1cc(S)cc(CO)c1C=C.
What is the InChIKey of [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol?
The InChIKey is BBSIETYXLDRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-3-8-5-10(13)6-9(7-12)11(8)4-2/h3-6,12-13H,1-2,7H2.
What are the key properties of [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol?
[2,3-bis(ethenyl)-5-sulfanylphenyl]methanol has a molecular weight of 192.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(ethenyl)-5-sulfanylphenyl]methanol is sourced from PubChem (CID 145118793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).