(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane

C8H16S — CID 159949439

IUPAC(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane
SMILESC=S1CC(C(C)C)[C@H]1C
InChIInChI=1S/C8H16S/c1-6(2)8-5-9(4)7(8)3/h6-8H,4-5H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyWZCAEGNLGGBKIQ-AFPNSQJFSA-N
MW144.28 g/mol
LogP2.36
Rot. Bonds1

About (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane

(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane (PubChem CID 159949439) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane
PubChem CID159949439
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane
SMILESC=S1CC(C(C)C)[C@H]1C
InChIInChI=1S/C8H16S/c1-6(2)8-5-9(4)7(8)3/h6-8H,4-5H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyWZCAEGNLGGBKIQ-AFPNSQJFSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
10-methyl-12-propan-2-yltricyclo[7.3.1.03,7]tridecane
CID 158433586
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-methylidene-4-propan-2-ylthiane
CID 161297374
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane?
The IUPAC name of (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane (CID 159949439) is (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane.
What is the SMILES notation for (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane?
The canonical SMILES for (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane is C=S1CC(C(C)C)[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane?
The InChIKey is WZCAEGNLGGBKIQ-AFPNSQJFSA-N. The full InChI is InChI=1S/C8H16S/c1-6(2)8-5-9(4)7(8)3/h6-8H,4-5H2,1-3H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane?
(2R)-2-methyl-1-methylidene-3-propan-2-ylthietane has a molecular weight of 144.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-methylidene-3-propan-2-ylthietane is sourced from PubChem (CID 159949439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).