2-[2-(methyldisulfanyl)phenyl]thiophene

C11H10S3 — CID 160776231

IUPAC2-[2-(methyldisulfanyl)phenyl]thiophene
SMILESCSSc1ccccc1-c1cccs1
InChIInChI=1S/C11H10S3/c1-12-14-11-6-3-2-5-9(11)10-7-4-8-13-10/h2-8H,1H3
InChIKeyRZZDFOBLOFNRMG-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.79
Rot. Bonds3

About 2-[2-(methyldisulfanyl)phenyl]thiophene

2-[2-(methyldisulfanyl)phenyl]thiophene (PubChem CID 160776231) has the molecular formula C11H10S3 and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[2-(methyldisulfanyl)phenyl]thiophene.

Molecular Properties

Compound Name2-[2-(methyldisulfanyl)phenyl]thiophene
PubChem CID160776231
Molecular FormulaC11H10S3
Molecular Weight238.40 g/mol
Exact Mass237.99
IUPAC Name2-[2-(methyldisulfanyl)phenyl]thiophene
SMILESCSSc1ccccc1-c1cccs1
InChIInChI=1S/C11H10S3/c1-12-14-11-6-3-2-5-9(11)10-7-4-8-13-10/h2-8H,1H3
InChIKeyRZZDFOBLOFNRMG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylsulfanylbenzene;1-(2-methylsulfanylphenyl)naphthalene;2-(2-methylsulfanylphenyl)thiophene
CID 174321804
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
CID 151082316
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-(2-methylsulfinylphenyl)thiophene
CID 174418669
2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene
CID 141437650
CID 67822914
CID 67822914
4-[(4-carboxy-2-thiophen-2-ylphenyl)disulfanyl]-3-thiophen-2-ylbenzoic acid
CID 150011049
4-methyl-5-thiophen-2-ylpyridin-2-amine
CID 79730062
2-methyl-3-thiophen-2-ylpyridine
CID 118471782
N-heptan-4-yl-2-thiophen-2-ylaniline
CID 43724523
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methyldisulfanyl)phenyl]thiophene?
The IUPAC name of 2-[2-(methyldisulfanyl)phenyl]thiophene (CID 160776231) is 2-[2-(methyldisulfanyl)phenyl]thiophene.
What is the SMILES notation for 2-[2-(methyldisulfanyl)phenyl]thiophene?
The canonical SMILES for 2-[2-(methyldisulfanyl)phenyl]thiophene is CSSc1ccccc1-c1cccs1.
What is the InChIKey of 2-[2-(methyldisulfanyl)phenyl]thiophene?
The InChIKey is RZZDFOBLOFNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S3/c1-12-14-11-6-3-2-5-9(11)10-7-4-8-13-10/h2-8H,1H3.
What are the key properties of 2-[2-(methyldisulfanyl)phenyl]thiophene?
2-[2-(methyldisulfanyl)phenyl]thiophene has a molecular weight of 238.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methyldisulfanyl)phenyl]thiophene is sourced from PubChem (CID 160776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).