2-methyl-4-propan-2-ylthietane

C7H14S — CID 118613227

IUPAC2-methyl-4-propan-2-ylthietane
SMILESCC1CC(C(C)C)S1
InChIInChI=1S/C7H14S/c1-5(2)7-4-6(3)8-7/h5-7H,4H2,1-3H3
InChIKeyPVKHJDZFBRHKRF-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.54
Rot. Bonds1

About 2-methyl-4-propan-2-ylthietane

2-methyl-4-propan-2-ylthietane (PubChem CID 118613227) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylthietane.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylthietane
PubChem CID118613227
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methyl-4-propan-2-ylthietane
SMILESCC1CC(C(C)C)S1
InChIInChI=1S/C7H14S/c1-5(2)7-4-6(3)8-7/h5-7H,4H2,1-3H3
InChIKeyPVKHJDZFBRHKRF-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-4-propan-2-ylthietane
CID 118612994
2-propan-2-ylthiirane;hydrochloride
CID 175181688
2-methyl-5-propan-2-ylthiolan-3-one
CID 174421915
2,5-dimethylthiolane-3-thiol
CID 22572182
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
2-methyl-4-(2-methylpropyl)thiolane
CID 57202596
3-methyl-4-propan-2-ylthiolane
CID 59596318
[(2S,3R,5S)-3-hydroxy-5-propan-2-ylthiolan-2-yl]-phenylmethanone
CID 101428089
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
4-cyclohexyl-2-propan-2-ylthiolane
CID 135139834
(5R,7S)-3,4,5,7-tetramethyl-1,9-di(propan-2-yl)-5,7,8,9-tetrahydrothiepino[4,3-c]pyridine
CID 170522686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylthietane?
The IUPAC name of 2-methyl-4-propan-2-ylthietane (CID 118613227) is 2-methyl-4-propan-2-ylthietane.
What is the SMILES notation for 2-methyl-4-propan-2-ylthietane?
The canonical SMILES for 2-methyl-4-propan-2-ylthietane is CC1CC(C(C)C)S1.
What is the InChIKey of 2-methyl-4-propan-2-ylthietane?
The InChIKey is PVKHJDZFBRHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-5(2)7-4-6(3)8-7/h5-7H,4H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylthietane?
2-methyl-4-propan-2-ylthietane has a molecular weight of 130.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylthietane is sourced from PubChem (CID 118613227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).