2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane

C8H14S — CID 90842879

IUPAC2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane
SMILESCSCC1CCC2CC12
InChIInChI=1S/C8H14S/c1-9-5-7-3-2-6-4-8(6)7/h6-8H,2-5H2,1H3
InChIKeyJTMMCLKDDXHXHY-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.40
Rot. Bonds2

About 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane

2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane (PubChem CID 90842879) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane
PubChem CID90842879
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane
SMILESCSCC1CCC2CC12
InChIInChI=1S/C8H14S/c1-9-5-7-3-2-6-4-8(6)7/h6-8H,2-5H2,1H3
InChIKeyJTMMCLKDDXHXHY-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethyl)bicyclo[3.1.0]hexane
CID 123541762
2-(2-cyclopropylethyl)bicyclo[3.1.0]hexane
CID 154516067
(2R)-2-(2-methylsulfonylethyl)bicyclo[3.1.0]hexane
CID 130336972
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
[(1R,6S)-6-methyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 166698181
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
tricyclo[3.3.0.02,7]octane
CID 13112141

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane (CID 90842879) is 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane is CSCC1CCC2CC12.
What is the InChIKey of 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane?
The InChIKey is JTMMCLKDDXHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-9-5-7-3-2-6-4-8(6)7/h6-8H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane?
2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane has a molecular weight of 142.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 90842879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).