4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene

C6H6S2 — CID 88889914

IUPAC4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene
SMILESC#CC1=CS(=S)CC1
InChIInChI=1S/C6H6S2/c1-2-6-3-4-8(7)5-6/h1,5H,3-4H2
InChIKeyFMKVAKMBPFHPMY-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.99
Rot. Bonds

About 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene

4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene (PubChem CID 88889914) has the molecular formula C6H6S2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene
PubChem CID88889914
Molecular FormulaC6H6S2
Molecular Weight142.25 g/mol
Exact Mass141.99
IUPAC Name4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene
SMILESC#CC1=CS(=S)CC1
InChIInChI=1S/C6H6S2/c1-2-6-3-4-8(7)5-6/h1,5H,3-4H2
InChIKeyFMKVAKMBPFHPMY-UHFFFAOYSA-N
XLogP0.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethynyl-1-sulfanylidene-2,3-dihydrothiophene
CID 89442155
3-Ethynyl-1,1-bis(sulfanylidene)-2,3-dihydrothiophene
CID 89446444
4-Ethynyl-1-sulfanylidene-2,3-dihydrothiophene 1-oxide
CID 89446524
4-Ethynyl-1,1-bis(sulfanylidene)-2,3-dihydrothiophene
CID 89446554

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene?
The IUPAC name of 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene (CID 88889914) is 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene?
The canonical SMILES for 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene is C#CC1=CS(=S)CC1.
What is the InChIKey of 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene?
The InChIKey is FMKVAKMBPFHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S2/c1-2-6-3-4-8(7)5-6/h1,5H,3-4H2.
What are the key properties of 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene?
4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene has a molecular weight of 142.25 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-sulfanylidene-2,3-dihydrothiophene is sourced from PubChem (CID 88889914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).