2-phenyl-3-sulfanylphenol

C12H10OS — CID 22259596

IUPAC2-phenyl-3-sulfanylphenol
SMILESOc1cccc(S)c1-c1ccccc1
InChIInChI=1S/C12H10OS/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYFCTYAQOLUBUFS-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.35
Rot. Bonds1

About 2-phenyl-3-sulfanylphenol

2-phenyl-3-sulfanylphenol (PubChem CID 22259596) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-phenyl-3-sulfanylphenol.

Molecular Properties

Compound Name2-phenyl-3-sulfanylphenol
PubChem CID22259596
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name2-phenyl-3-sulfanylphenol
SMILESOc1cccc(S)c1-c1ccccc1
InChIInChI=1S/C12H10OS/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYFCTYAQOLUBUFS-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyl-4-sulfanylphenol
CID 87968184
2,3-dimethyl-6-phenyl-5-sulfanylphenol
CID 87447580
2-phenyl-3-propan-2-ylphenol
CID 54177325
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
3,4-dimethyl-2-phenylbenzenethiol
CID 20871539
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
ethane;2-methyl-3-sulfanylphenol
CID 143478327
3-amino-2-phenylphenol;2-phenylphenol
CID 67542566
1-amino-8-hydroxy-2,3-diphenyl-5-sulfanylanthracene-9,10-dione
CID 18970540
2,3-diphenyl-4-sulfanylphenol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 173205679
3,4-dichloro-2-phenylbenzenethiol
CID 67786652
2-hydroxy-1-phenylfluoren-9-one
CID 162516784

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-sulfanylphenol?
The IUPAC name of 2-phenyl-3-sulfanylphenol (CID 22259596) is 2-phenyl-3-sulfanylphenol.
What is the SMILES notation for 2-phenyl-3-sulfanylphenol?
The canonical SMILES for 2-phenyl-3-sulfanylphenol is Oc1cccc(S)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-sulfanylphenol?
The InChIKey is YFCTYAQOLUBUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,13-14H.
What are the key properties of 2-phenyl-3-sulfanylphenol?
2-phenyl-3-sulfanylphenol has a molecular weight of 202.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-sulfanylphenol is sourced from PubChem (CID 22259596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).