cyclobutyl-(2-methylthiolan-2-yl)methanone

C10H16OS — CID 81452516

IUPACcyclobutyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CCC2)CCCS1
InChIInChI=1S/C10H16OS/c1-10(6-3-7-12-10)9(11)8-4-2-5-8/h8H,2-7H2,1H3
InChIKeyXMZORCCSVFAXPZ-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.64
Rot. Bonds2

About cyclobutyl-(2-methylthiolan-2-yl)methanone

cyclobutyl-(2-methylthiolan-2-yl)methanone (PubChem CID 81452516) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is cyclobutyl-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-methylthiolan-2-yl)methanone
PubChem CID81452516
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Namecyclobutyl-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)C2CCC2)CCCS1
InChIInChI=1S/C10H16OS/c1-10(6-3-7-12-10)9(11)8-4-2-5-8/h8H,2-7H2,1H3
InChIKeyXMZORCCSVFAXPZ-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methylthiolan-2-yl)methanone?
The IUPAC name of cyclobutyl-(2-methylthiolan-2-yl)methanone (CID 81452516) is cyclobutyl-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for cyclobutyl-(2-methylthiolan-2-yl)methanone is CC1(C(=O)C2CCC2)CCCS1.
What is the InChIKey of cyclobutyl-(2-methylthiolan-2-yl)methanone?
The InChIKey is XMZORCCSVFAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-10(6-3-7-12-10)9(11)8-4-2-5-8/h8H,2-7H2,1H3.
What are the key properties of cyclobutyl-(2-methylthiolan-2-yl)methanone?
cyclobutyl-(2-methylthiolan-2-yl)methanone has a molecular weight of 184.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81452516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).