(1-methylcyclobutyl)oxysulfanylbenzene

C11H14OS — CID 131801507

IUPAC(1-methylcyclobutyl)oxysulfanylbenzene
SMILESCC1(OSc2ccccc2)CCC1
InChIInChI=1S/C11H14OS/c1-11(8-5-9-11)12-13-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyLCOOEKUJBKFKQG-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.65
Rot. Bonds3

About (1-methylcyclobutyl)oxysulfanylbenzene

(1-methylcyclobutyl)oxysulfanylbenzene (PubChem CID 131801507) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (1-methylcyclobutyl)oxysulfanylbenzene.

Molecular Properties

Compound Name(1-methylcyclobutyl)oxysulfanylbenzene
PubChem CID131801507
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(1-methylcyclobutyl)oxysulfanylbenzene
SMILESCC1(OSc2ccccc2)CCC1
InChIInChI=1S/C11H14OS/c1-11(8-5-9-11)12-13-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyLCOOEKUJBKFKQG-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-phenoxycycloheptane
CID 101026780
2,2,6,6-tetramethyl-N-phenylsulfanylpiperidin-1-amine
CID 134936181
N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
CID 79222635
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-(1-phenylsulfanylcyclopropyl)cyclobutan-1-ol
CID 73424855
(1-ethenylcyclobutyl)sulfanylbenzene
CID 15882644
(3-methylcyclohexyl)oxysulfanylbenzene
CID 142166660
methoxymethoxysulfanylbenzene
CID 15145910
methoxymethane;phenylsulfanylbenzene
CID 175087336
(1-cyclopropylcyclopropyl)sulfanylbenzene
CID 10774057
(1-ethylcyclopropyl)sulfanylbenzene
CID 12836417
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl)oxysulfanylbenzene?
The IUPAC name of (1-methylcyclobutyl)oxysulfanylbenzene (CID 131801507) is (1-methylcyclobutyl)oxysulfanylbenzene.
What is the SMILES notation for (1-methylcyclobutyl)oxysulfanylbenzene?
The canonical SMILES for (1-methylcyclobutyl)oxysulfanylbenzene is CC1(OSc2ccccc2)CCC1.
What is the InChIKey of (1-methylcyclobutyl)oxysulfanylbenzene?
The InChIKey is LCOOEKUJBKFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(8-5-9-11)12-13-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of (1-methylcyclobutyl)oxysulfanylbenzene?
(1-methylcyclobutyl)oxysulfanylbenzene has a molecular weight of 194.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl)oxysulfanylbenzene is sourced from PubChem (CID 131801507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).