2-thiophen-3-ylethynethiolate

C6H3S2- — CID 101453743

IUPAC2-thiophen-3-ylethynethiolate
SMILES[S-]C#Cc1ccsc1
InChIInChI=1S/C6H4S2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H/p-1
InChIKeyBNPUJPSPHFNGLT-UHFFFAOYSA-M
MW139.22 g/mol
LogP1.60
Rot. Bonds

About 2-thiophen-3-ylethynethiolate

2-thiophen-3-ylethynethiolate (PubChem CID 101453743) has the molecular formula C6H3S2- and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-thiophen-3-ylethynethiolate.

Molecular Properties

Compound Name2-thiophen-3-ylethynethiolate
PubChem CID101453743
Molecular FormulaC6H3S2-
Molecular Weight139.22 g/mol
Exact Mass138.97
IUPAC Name2-thiophen-3-ylethynethiolate
SMILES[S-]C#Cc1ccsc1
InChIInChI=1S/C6H4S2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H/p-1
InChIKeyBNPUJPSPHFNGLT-UHFFFAOYSA-M
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-3-ylethynylsilane
CID 174774577
pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane
CID 58150618
chromium(2+);bis(3-ethynylthiophene)
CID 177452014
3-(6-iodohex-1-ynyl)thiophene
CID 102309735
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
3-dec-1-ynylthiophene
CID 67462067
3-(5-phenylpent-1-ynyl)thiophene
CID 152636776
triphenyl(2-thiophen-3-ylethynyl)phosphanium bromide
CID 166771661
phenyl-[4-(2-thiophen-3-ylethynyl)phenyl]diazene
CID 132503077
3-[2-(2-ethenylphenyl)ethynyl]thiophene
CID 150232619
N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide
CID 67328052
2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylethynethiolate?
The IUPAC name of 2-thiophen-3-ylethynethiolate (CID 101453743) is 2-thiophen-3-ylethynethiolate.
What is the SMILES notation for 2-thiophen-3-ylethynethiolate?
The canonical SMILES for 2-thiophen-3-ylethynethiolate is [S-]C#Cc1ccsc1.
What is the InChIKey of 2-thiophen-3-ylethynethiolate?
The InChIKey is BNPUJPSPHFNGLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4S2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H/p-1.
What are the key properties of 2-thiophen-3-ylethynethiolate?
2-thiophen-3-ylethynethiolate has a molecular weight of 139.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylethynethiolate is sourced from PubChem (CID 101453743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).