2-(1,3-thiazol-2-yl)ethynethiol

C5H3NS2 — CID 147703090

IUPAC2-(1,3-thiazol-2-yl)ethynethiol
SMILESSC#Cc1nccs1
InChIInChI=1S/C5H3NS2/c7-3-1-5-6-2-4-8-5/h2,4,7H
InChIKeyGTFXUTPZFNVZRY-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.38
Rot. Bonds

About 2-(1,3-thiazol-2-yl)ethynethiol

2-(1,3-thiazol-2-yl)ethynethiol (PubChem CID 147703090) has the molecular formula C5H3NS2 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)ethynethiol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)ethynethiol
PubChem CID147703090
Molecular FormulaC5H3NS2
Molecular Weight141.22 g/mol
Exact Mass140.97
IUPAC Name2-(1,3-thiazol-2-yl)ethynethiol
SMILESSC#Cc1nccs1
InChIInChI=1S/C5H3NS2/c7-3-1-5-6-2-4-8-5/h2,4,7H
InChIKeyGTFXUTPZFNVZRY-UHFFFAOYSA-N
XLogP1.38
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)ethynethiol?
The IUPAC name of 2-(1,3-thiazol-2-yl)ethynethiol (CID 147703090) is 2-(1,3-thiazol-2-yl)ethynethiol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)ethynethiol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)ethynethiol is SC#Cc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)ethynethiol?
The InChIKey is GTFXUTPZFNVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS2/c7-3-1-5-6-2-4-8-5/h2,4,7H.
What are the key properties of 2-(1,3-thiazol-2-yl)ethynethiol?
2-(1,3-thiazol-2-yl)ethynethiol has a molecular weight of 141.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)ethynethiol is sourced from PubChem (CID 147703090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).