methylcyclopentane;propane-2-thione

C9H18S — CID 143471637

IUPACmethylcyclopentane;propane-2-thione
SMILESCC(C)=S.CC1CCCC1
InChIInChI=1S/C6H12.C3H6S/c1-6-4-2-3-5-6;1-3(2)4/h6H,2-5H2,1H3;1-2H3
InChIKeyOCLRNPWEUQEYOY-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.59
Rot. Bonds

About methylcyclopentane;propane-2-thione

methylcyclopentane;propane-2-thione (PubChem CID 143471637) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is methylcyclopentane;propane-2-thione.

Molecular Properties

Compound Namemethylcyclopentane;propane-2-thione
PubChem CID143471637
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Namemethylcyclopentane;propane-2-thione
SMILESCC(C)=S.CC1CCCC1
InChIInChI=1S/C6H12.C3H6S/c1-6-4-2-3-5-6;1-3(2)4/h6H,2-5H2,1H3;1-2H3
InChIKeyOCLRNPWEUQEYOY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.59
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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Related Compounds

methylcyclopentane
CID 7296
erbium;tris(methylcyclopentane)
CID 91996115
cyclohexane;methylcyclopentane
CID 20788572
CID 158187464
CID 158187464
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
1,6-dimethylcycloundecane
CID 91298161
methanol;methylcyclopentane;prop-1-en-2-ol
CID 142006144
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
ethane;methylcyclohexane;dihydrate
CID 144526565

Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;propane-2-thione?
The IUPAC name of methylcyclopentane;propane-2-thione (CID 143471637) is methylcyclopentane;propane-2-thione.
What is the SMILES notation for methylcyclopentane;propane-2-thione?
The canonical SMILES for methylcyclopentane;propane-2-thione is CC(C)=S.CC1CCCC1.
What is the InChIKey of methylcyclopentane;propane-2-thione?
The InChIKey is OCLRNPWEUQEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H6S/c1-6-4-2-3-5-6;1-3(2)4/h6H,2-5H2,1H3;1-2H3.
What are the key properties of methylcyclopentane;propane-2-thione?
methylcyclopentane;propane-2-thione has a molecular weight of 158.31 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;propane-2-thione is sourced from PubChem (CID 143471637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).