2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione

C10H18S — CID 130384249

IUPAC2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione
SMILESCC(C)C(=S)C1(C(C)C)CC1
InChIInChI=1S/C10H18S/c1-7(2)9(11)10(5-6-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWZEFOIOOHWKEEJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione

2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione (PubChem CID 130384249) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione
PubChem CID130384249
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione
SMILESCC(C)C(=S)C1(C(C)C)CC1
InChIInChI=1S/C10H18S/c1-7(2)9(11)10(5-6-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWZEFOIOOHWKEEJ-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione?
The IUPAC name of 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione (CID 130384249) is 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione is CC(C)C(=S)C1(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione?
The InChIKey is WZEFOIOOHWKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9(11)10(5-6-10)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione?
2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione has a molecular weight of 170.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione is sourced from PubChem (CID 130384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).