1-thiophen-2-ylethanethiol

C6H8S2 — CID 2724626

IUPAC1-thiophen-2-ylethanethiol
SMILESCC(S)c1cccs1
InChIInChI=1S/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
InChIKeyNCCCTQRHFVSOMP-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.74
Rot. Bonds1

About 1-thiophen-2-ylethanethiol

1-thiophen-2-ylethanethiol (PubChem CID 2724626) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-thiophen-2-ylethanethiol.

Molecular Properties

Compound Name1-thiophen-2-ylethanethiol
PubChem CID2724626
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name1-thiophen-2-ylethanethiol
SMILESCC(S)c1cccs1
InChIInChI=1S/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
InChIKeyNCCCTQRHFVSOMP-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylethanethiol?
The IUPAC name of 1-thiophen-2-ylethanethiol (CID 2724626) is 1-thiophen-2-ylethanethiol.
What is the SMILES notation for 1-thiophen-2-ylethanethiol?
The canonical SMILES for 1-thiophen-2-ylethanethiol is CC(S)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylethanethiol?
The InChIKey is NCCCTQRHFVSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3.
What are the key properties of 1-thiophen-2-ylethanethiol?
1-thiophen-2-ylethanethiol has a molecular weight of 144.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylethanethiol is sourced from PubChem (CID 2724626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).