dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane

C6H10S3 — CID 123636622

IUPACdimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
SMILESCS(C)(S)c1cccs1
InChIInChI=1S/C6H10S3/c1-9(2,7)6-4-3-5-8-6/h3-5,7H,1-2H3
InChIKeyAOWPHRPSQFWRSN-UHFFFAOYSA-N
MW178.35 g/mol
LogP3.02
Rot. Bonds1

About dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane

dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane (PubChem CID 123636622) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
PubChem CID123636622
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Namedimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
SMILESCS(C)(S)c1cccs1
InChIInChI=1S/C6H10S3/c1-9(2,7)6-4-3-5-8-6/h3-5,7H,1-2H3
InChIKeyAOWPHRPSQFWRSN-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-methyl-thiophen-2-yl-λ4-sulfane
CID 143818318
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
2-(disulfanylsulfonyl)thiophene
CID 147186470
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
2-propan-2-ylsulfonylthiophene
CID 22953694
methanol;thiophene-2-sulfonamide
CID 157397427
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
sodium thiophene-2-sulfonic acid
CID 54603046
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene
CID 151484284

Frequently Asked Questions

What is the IUPAC name of dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane?
The IUPAC name of dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane (CID 123636622) is dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane.
What is the SMILES notation for dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane?
The canonical SMILES for dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane is CS(C)(S)c1cccs1.
What is the InChIKey of dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane?
The InChIKey is AOWPHRPSQFWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S3/c1-9(2,7)6-4-3-5-8-6/h3-5,7H,1-2H3.
What are the key properties of dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane?
dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane has a molecular weight of 178.35 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane is sourced from PubChem (CID 123636622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).