2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol

C9H7NO2S — CID 135587730

IUPAC2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol
SMILESC=C1OC(c2ccccc2O)=NS1
InChIInChI=1S/C9H7NO2S/c1-6-12-9(10-13-6)7-4-2-3-5-8(7)11/h2-5,11H,1H2
InChIKeyRPHIWJBUFUMZJM-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.29
Rot. Bonds1

About 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol

2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol (PubChem CID 135587730) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol.

Molecular Properties

Compound Name2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol
PubChem CID135587730
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol
SMILESC=C1OC(c2ccccc2O)=NS1
InChIInChI=1S/C9H7NO2S/c1-6-12-9(10-13-6)7-4-2-3-5-8(7)11/h2-5,11H,1H2
InChIKeyRPHIWJBUFUMZJM-UHFFFAOYSA-N
XLogP2.29
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 167630894
2-(2-hydroxyphenyl)phenol;naphthalene
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CID 137182504
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(4-ethynyl-1,3-thiazol-2-yl)phenol
CID 136801055
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
2-pyrimidin-2-ylphenol;zinc
CID 161346901

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol?
The IUPAC name of 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol (CID 135587730) is 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol.
What is the SMILES notation for 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol?
The canonical SMILES for 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol is C=C1OC(c2ccccc2O)=NS1.
What is the InChIKey of 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol?
The InChIKey is RPHIWJBUFUMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6-12-9(10-13-6)7-4-2-3-5-8(7)11/h2-5,11H,1H2.
What are the key properties of 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol?
2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol has a molecular weight of 193.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidene-1,3,4-oxathiazol-5-yl)phenol is sourced from PubChem (CID 135587730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).