ethane;2-methyl-1-benzofuran-3-thiol

C11H14OS — CID 145124466

IUPACethane;2-methyl-1-benzofuran-3-thiol
SMILESCC.Cc1oc2ccccc2c1S
InChIInChI=1S/C9H8OS.C2H6/c1-6-9(11)7-4-2-3-5-8(7)10-6;1-2/h2-5,11H,1H3;1-2H3
InChIKeyUZIDVGFMFTWABP-UHFFFAOYSA-N
MW194.30 g/mol
LogP4.06
Rot. Bonds

About ethane;2-methyl-1-benzofuran-3-thiol

ethane;2-methyl-1-benzofuran-3-thiol (PubChem CID 145124466) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is ethane;2-methyl-1-benzofuran-3-thiol.

Molecular Properties

Compound Nameethane;2-methyl-1-benzofuran-3-thiol
PubChem CID145124466
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Nameethane;2-methyl-1-benzofuran-3-thiol
SMILESCC.Cc1oc2ccccc2c1S
InChIInChI=1S/C9H8OS.C2H6/c1-6-9(11)7-4-2-3-5-8(7)10-6;1-2/h2-5,11H,1H3;1-2H3
InChIKeyUZIDVGFMFTWABP-UHFFFAOYSA-N
XLogP4.06
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-1-benzofuran-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-1-benzofuran;ethane
CID 142047308
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
CID 13062910
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
CID 175141067
4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
CID 70052082
4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol
CID 174933334
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
dibenzofuran;molecular hydrogen
CID 173065186
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-benzofuran-3-thiol?
The IUPAC name of ethane;2-methyl-1-benzofuran-3-thiol (CID 145124466) is ethane;2-methyl-1-benzofuran-3-thiol.
What is the SMILES notation for ethane;2-methyl-1-benzofuran-3-thiol?
The canonical SMILES for ethane;2-methyl-1-benzofuran-3-thiol is CC.Cc1oc2ccccc2c1S.
What is the InChIKey of ethane;2-methyl-1-benzofuran-3-thiol?
The InChIKey is UZIDVGFMFTWABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS.C2H6/c1-6-9(11)7-4-2-3-5-8(7)10-6;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1-benzofuran-3-thiol?
ethane;2-methyl-1-benzofuran-3-thiol has a molecular weight of 194.30 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-benzofuran-3-thiol is sourced from PubChem (CID 145124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).