1,1,2-tris(methylsulfanyl)ethene

C5H10S3 — CID 597145

IUPAC1,1,2-tris(methylsulfanyl)ethene
SMILESCSC=C(SC)SC
InChIInChI=1S/C5H10S3/c1-6-4-5(7-2)8-3/h4H,1-3H3
InChIKeyWOWJFIDEGAHMLV-UHFFFAOYSA-N
MW166.34 g/mol
LogP2.87
Rot. Bonds3

About 1,1,2-tris(methylsulfanyl)ethene

1,1,2-tris(methylsulfanyl)ethene (PubChem CID 597145) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 1,1,2-tris(methylsulfanyl)ethene.

Molecular Properties

Compound Name1,1,2-tris(methylsulfanyl)ethene
PubChem CID597145
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name1,1,2-tris(methylsulfanyl)ethene
SMILESCSC=C(SC)SC
InChIInChI=1S/C5H10S3/c1-6-4-5(7-2)8-3/h4H,1-3H3
InChIKeyWOWJFIDEGAHMLV-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(methylsulfanyl)ethene?
The IUPAC name of 1,1,2-tris(methylsulfanyl)ethene (CID 597145) is 1,1,2-tris(methylsulfanyl)ethene.
What is the SMILES notation for 1,1,2-tris(methylsulfanyl)ethene?
The canonical SMILES for 1,1,2-tris(methylsulfanyl)ethene is CSC=C(SC)SC.
What is the InChIKey of 1,1,2-tris(methylsulfanyl)ethene?
The InChIKey is WOWJFIDEGAHMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-6-4-5(7-2)8-3/h4H,1-3H3.
What are the key properties of 1,1,2-tris(methylsulfanyl)ethene?
1,1,2-tris(methylsulfanyl)ethene has a molecular weight of 166.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(methylsulfanyl)ethene is sourced from PubChem (CID 597145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).