trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane

C6H10S — CID 11105341

IUPACtrans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane
SMILESC=C[C@H]1C[C@H]1SC
InChIInChI=1S/C6H10S/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyLQSDRGGPHJJFRA-NTSWFWBYSA-N
MW114.21 g/mol
LogP1.92
Rot. Bonds2

About trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane

trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane (PubChem CID 11105341) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane
PubChem CID11105341
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Nametrans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane
SMILESC=C[C@H]1C[C@H]1SC
InChIInChI=1S/C6H10S/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyLQSDRGGPHJJFRA-NTSWFWBYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane (CID 11105341) is trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane is C=C[C@H]1C[C@H]1SC.
What is the InChIKey of trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane?
The InChIKey is LQSDRGGPHJJFRA-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10S/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane?
trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane has a molecular weight of 114.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethenyl-2-methylsulfanylcyclopropane is sourced from PubChem (CID 11105341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).