1-methylsulfanylcyclopropene

C4H6S — CID 66920853

IUPAC1-methylsulfanylcyclopropene
SMILESCSC1=CC1
InChIInChI=1S/C4H6S/c1-5-4-2-3-4/h2H,3H2,1H3
InChIKeyFBCXDDCJPHHGCI-UHFFFAOYSA-N
MW86.16 g/mol
LogP1.64
Rot. Bonds1

About 1-methylsulfanylcyclopropene

1-methylsulfanylcyclopropene (PubChem CID 66920853) has the molecular formula C4H6S and a molecular weight of 86.16 g/mol. Its IUPAC name is 1-methylsulfanylcyclopropene.

Molecular Properties

Compound Name1-methylsulfanylcyclopropene
PubChem CID66920853
Molecular FormulaC4H6S
Molecular Weight86.16 g/mol
Exact Mass86.02
IUPAC Name1-methylsulfanylcyclopropene
SMILESCSC1=CC1
InChIInChI=1S/C4H6S/c1-5-4-2-3-4/h2H,3H2,1H3
InChIKeyFBCXDDCJPHHGCI-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopropene?
The IUPAC name of 1-methylsulfanylcyclopropene (CID 66920853) is 1-methylsulfanylcyclopropene.
What is the SMILES notation for 1-methylsulfanylcyclopropene?
The canonical SMILES for 1-methylsulfanylcyclopropene is CSC1=CC1.
What is the InChIKey of 1-methylsulfanylcyclopropene?
The InChIKey is FBCXDDCJPHHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S/c1-5-4-2-3-4/h2H,3H2,1H3.
What are the key properties of 1-methylsulfanylcyclopropene?
1-methylsulfanylcyclopropene has a molecular weight of 86.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopropene is sourced from PubChem (CID 66920853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).