3-methylsulfanylcyclobutane-1-carboxylic acid

C6H10O2S — CID 115011701

IUPAC3-methylsulfanylcyclobutane-1-carboxylic acid
SMILESCSC1CC(C(=O)O)C1
InChIInChI=1S/C6H10O2S/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMSMUSHKIOZLLGD-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.21
Rot. Bonds2

About 3-methylsulfanylcyclobutane-1-carboxylic acid

3-methylsulfanylcyclobutane-1-carboxylic acid (PubChem CID 115011701) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-methylsulfanylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-methylsulfanylcyclobutane-1-carboxylic acid
PubChem CID115011701
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3-methylsulfanylcyclobutane-1-carboxylic acid
SMILESCSC1CC(C(=O)O)C1
InChIInChI=1S/C6H10O2S/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMSMUSHKIOZLLGD-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-methylsulfanylcyclobutane-1-carboxylic acid (CID 115011701) is 3-methylsulfanylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-methylsulfanylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-methylsulfanylcyclobutane-1-carboxylic acid is CSC1CC(C(=O)O)C1.
What is the InChIKey of 3-methylsulfanylcyclobutane-1-carboxylic acid?
The InChIKey is MSMUSHKIOZLLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-methylsulfanylcyclobutane-1-carboxylic acid?
3-methylsulfanylcyclobutane-1-carboxylic acid has a molecular weight of 146.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 115011701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).