2-ethenyl-1,3-bis(methylsulfanyl)benzene

C10H12S2 — CID 54025667

IUPAC2-ethenyl-1,3-bis(methylsulfanyl)benzene
SMILESC=Cc1c(SC)cccc1SC
InChIInChI=1S/C10H12S2/c1-4-8-9(11-2)6-5-7-10(8)12-3/h4-7H,1H2,2-3H3
InChIKeyCSYNAHJBTVXLTO-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.77
Rot. Bonds3

About 2-ethenyl-1,3-bis(methylsulfanyl)benzene

2-ethenyl-1,3-bis(methylsulfanyl)benzene (PubChem CID 54025667) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethenyl-1,3-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Name2-ethenyl-1,3-bis(methylsulfanyl)benzene
PubChem CID54025667
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name2-ethenyl-1,3-bis(methylsulfanyl)benzene
SMILESC=Cc1c(SC)cccc1SC
InChIInChI=1S/C10H12S2/c1-4-8-9(11-2)6-5-7-10(8)12-3/h4-7H,1H2,2-3H3
InChIKeyCSYNAHJBTVXLTO-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-bis(methylsulfanyl)benzene?
The IUPAC name of 2-ethenyl-1,3-bis(methylsulfanyl)benzene (CID 54025667) is 2-ethenyl-1,3-bis(methylsulfanyl)benzene.
What is the SMILES notation for 2-ethenyl-1,3-bis(methylsulfanyl)benzene?
The canonical SMILES for 2-ethenyl-1,3-bis(methylsulfanyl)benzene is C=Cc1c(SC)cccc1SC.
What is the InChIKey of 2-ethenyl-1,3-bis(methylsulfanyl)benzene?
The InChIKey is CSYNAHJBTVXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-4-8-9(11-2)6-5-7-10(8)12-3/h4-7H,1H2,2-3H3.
What are the key properties of 2-ethenyl-1,3-bis(methylsulfanyl)benzene?
2-ethenyl-1,3-bis(methylsulfanyl)benzene has a molecular weight of 196.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-bis(methylsulfanyl)benzene is sourced from PubChem (CID 54025667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).