5-(1-benzofuran-2-yl)-2-methylbenzenethiol

C15H12OS — CID 71213605

IUPAC5-(1-benzofuran-2-yl)-2-methylbenzenethiol
SMILESCc1ccc(-c2cc3ccccc3o2)cc1S
InChIInChI=1S/C15H12OS/c1-10-6-7-12(9-15(10)17)14-8-11-4-2-3-5-13(11)16-14/h2-9,17H,1H3
InChIKeyHUKZMVLXTUBSBI-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.70
Rot. Bonds1

About 5-(1-benzofuran-2-yl)-2-methylbenzenethiol

5-(1-benzofuran-2-yl)-2-methylbenzenethiol (PubChem CID 71213605) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-methylbenzenethiol.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-methylbenzenethiol
PubChem CID71213605
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name5-(1-benzofuran-2-yl)-2-methylbenzenethiol
SMILESCc1ccc(-c2cc3ccccc3o2)cc1S
InChIInChI=1S/C15H12OS/c1-10-6-7-12(9-15(10)17)14-8-11-4-2-3-5-13(11)16-14/h2-9,17H,1H3
InChIKeyHUKZMVLXTUBSBI-UHFFFAOYSA-N
XLogP4.70
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
CID 145481148
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-(4-nitrophenyl)-1-benzofuran
CID 638459
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
CID 114732147
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-methylbenzenethiol?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-methylbenzenethiol (CID 71213605) is 5-(1-benzofuran-2-yl)-2-methylbenzenethiol.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-methylbenzenethiol?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-methylbenzenethiol is Cc1ccc(-c2cc3ccccc3o2)cc1S.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-methylbenzenethiol?
The InChIKey is HUKZMVLXTUBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-10-6-7-12(9-15(10)17)14-8-11-4-2-3-5-13(11)16-14/h2-9,17H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-2-methylbenzenethiol?
5-(1-benzofuran-2-yl)-2-methylbenzenethiol has a molecular weight of 240.33 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-methylbenzenethiol is sourced from PubChem (CID 71213605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).