[(1R,2R)-2-methoxycyclobutyl]methanethiol

C6H12OS — CID 155820893

IUPAC[(1R,2R)-2-methoxycyclobutyl]methanethiol
SMILESCO[C@@H]1CC[C@H]1CS
InChIInChI=1S/C6H12OS/c1-7-6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyJOWLLXFJSAZZKK-NTSWFWBYSA-N
MW132.23 g/mol
LogP1.34
Rot. Bonds2

About [(1R,2R)-2-methoxycyclobutyl]methanethiol

[(1R,2R)-2-methoxycyclobutyl]methanethiol (PubChem CID 155820893) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclobutyl]methanethiol.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclobutyl]methanethiol
PubChem CID155820893
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name[(1R,2R)-2-methoxycyclobutyl]methanethiol
SMILESCO[C@@H]1CC[C@H]1CS
InChIInChI=1S/C6H12OS/c1-7-6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyJOWLLXFJSAZZKK-NTSWFWBYSA-N
XLogP1.34
TPSA9.23 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
CID 171453991
4-methoxy-3-propylcyclohexan-1-ol
CID 142147619
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
3-(2-aminopropyl)-4-methoxycyclohexan-1-ol
CID 154699686
(2-methoxycyclopentyl)methanamine
CID 43428752
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
CID 173379726
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748
1-(2-ethyl-3-methoxycyclopentyl)propan-2-one
CID 155743266
[(2S)-2-methoxycyclobutyl]azanium
CID 162453896
1-fluoro-2-methoxycyclobutane
CID 166727939

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclobutyl]methanethiol?
The IUPAC name of [(1R,2R)-2-methoxycyclobutyl]methanethiol (CID 155820893) is [(1R,2R)-2-methoxycyclobutyl]methanethiol.
What is the SMILES notation for [(1R,2R)-2-methoxycyclobutyl]methanethiol?
The canonical SMILES for [(1R,2R)-2-methoxycyclobutyl]methanethiol is CO[C@@H]1CC[C@H]1CS.
What is the InChIKey of [(1R,2R)-2-methoxycyclobutyl]methanethiol?
The InChIKey is JOWLLXFJSAZZKK-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12OS/c1-7-6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(1R,2R)-2-methoxycyclobutyl]methanethiol?
[(1R,2R)-2-methoxycyclobutyl]methanethiol has a molecular weight of 132.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclobutyl]methanethiol is sourced from PubChem (CID 155820893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).