(3-methylsulfanylcyclobutyl)methanol

C6H12OS — CID 115011262

IUPAC(3-methylsulfanylcyclobutyl)methanol
SMILESCSC1CC(CO)C1
InChIInChI=1S/C6H12OS/c1-8-6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKeyPHOMPPLZGQJWLW-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds2

About (3-methylsulfanylcyclobutyl)methanol

(3-methylsulfanylcyclobutyl)methanol (PubChem CID 115011262) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-methylsulfanylcyclobutyl)methanol.

Molecular Properties

Compound Name(3-methylsulfanylcyclobutyl)methanol
PubChem CID115011262
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(3-methylsulfanylcyclobutyl)methanol
SMILESCSC1CC(CO)C1
InChIInChI=1S/C6H12OS/c1-8-6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKeyPHOMPPLZGQJWLW-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylcyclobutyl)methanol?
The IUPAC name of (3-methylsulfanylcyclobutyl)methanol (CID 115011262) is (3-methylsulfanylcyclobutyl)methanol.
What is the SMILES notation for (3-methylsulfanylcyclobutyl)methanol?
The canonical SMILES for (3-methylsulfanylcyclobutyl)methanol is CSC1CC(CO)C1.
What is the InChIKey of (3-methylsulfanylcyclobutyl)methanol?
The InChIKey is PHOMPPLZGQJWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-6-2-5(3-6)4-7/h5-7H,2-4H2,1H3.
What are the key properties of (3-methylsulfanylcyclobutyl)methanol?
(3-methylsulfanylcyclobutyl)methanol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylcyclobutyl)methanol is sourced from PubChem (CID 115011262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).