2-thiophen-3-yloxybenzenethiol

C10H8OS2 — CID 175029104

IUPAC2-thiophen-3-yloxybenzenethiol
SMILESSc1ccccc1Oc1ccsc1
InChIInChI=1S/C10H8OS2/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h1-7,12H
InChIKeyFHWRBHISBGIACR-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.83
Rot. Bonds2

About 2-thiophen-3-yloxybenzenethiol

2-thiophen-3-yloxybenzenethiol (PubChem CID 175029104) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-thiophen-3-yloxybenzenethiol.

Molecular Properties

Compound Name2-thiophen-3-yloxybenzenethiol
PubChem CID175029104
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name2-thiophen-3-yloxybenzenethiol
SMILESSc1ccccc1Oc1ccsc1
InChIInChI=1S/C10H8OS2/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h1-7,12H
InChIKeyFHWRBHISBGIACR-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
3-(2,3-dimethylphenoxy)thiophene
CID 173291828
2-(thiophen-3-yloxymethyl)pyrimidine
CID 18172154
2-methoxybenzenethiol;sulfane
CID 141393821
trithiophen-3-yl borate
CID 69352648
ethane;3-methoxythiophene
CID 143563257
N-(2-phenoxyphenyl)-1-thiophen-3-ylmethanimine
CID 23996871
2-[4-[2-[4-[2-(4-ethylphenyl)propan-2-yl]phenyl]propan-2-yl]phenoxy]benzenethiol;2-methylbenzenethiol
CID 143168282
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
methyl 2-chloro-2-thiophen-3-yloxyacetate
CID 57086770
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
N-ethyl-N-[ethyl-(3-fluoro-4-thiophen-3-yloxyphenyl)carbamothioyl]-2-phenylacetamide
CID 87546504

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yloxybenzenethiol?
The IUPAC name of 2-thiophen-3-yloxybenzenethiol (CID 175029104) is 2-thiophen-3-yloxybenzenethiol.
What is the SMILES notation for 2-thiophen-3-yloxybenzenethiol?
The canonical SMILES for 2-thiophen-3-yloxybenzenethiol is Sc1ccccc1Oc1ccsc1.
What is the InChIKey of 2-thiophen-3-yloxybenzenethiol?
The InChIKey is FHWRBHISBGIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h1-7,12H.
What are the key properties of 2-thiophen-3-yloxybenzenethiol?
2-thiophen-3-yloxybenzenethiol has a molecular weight of 208.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yloxybenzenethiol is sourced from PubChem (CID 175029104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).