1-cyclopropylpentane-1-thiol

C8H16S — CID 173024263

IUPAC1-cyclopropylpentane-1-thiol
SMILESCCCCC(S)C1CC1
InChIInChI=1S/C8H16S/c1-2-3-4-8(9)7-5-6-7/h7-9H,2-6H2,1H3
InChIKeyZZFRCKPECNEDFZ-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropylpentane-1-thiol

1-cyclopropylpentane-1-thiol (PubChem CID 173024263) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-cyclopropylpentane-1-thiol.

Molecular Properties

Compound Name1-cyclopropylpentane-1-thiol
PubChem CID173024263
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-cyclopropylpentane-1-thiol
SMILESCCCCC(S)C1CC1
InChIInChI=1S/C8H16S/c1-2-3-4-8(9)7-5-6-7/h7-9H,2-6H2,1H3
InChIKeyZZFRCKPECNEDFZ-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylpentan-1-ol
CID 551238
1-cyclopropylpentylcycloheptane
CID 91177068
pentane-1,1-dithiol
CID 21192276
1-cyclopropylpentylhydrazine
CID 105202332
1-cyclopropyloctylcyclopropane
CID 141276542
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
5-cyclohexyl-5-sulfanylpentan-1-ol
CID 87600035
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
2-(1-cyclopropylpentyl)oxetane
CID 174056372
1-cyclopropylheptane-1,3-diol
CID 174466446
octan-2-ylcyclopropane
CID 18968125
dimethoxy-[1-(4-methylcyclohexyl)pentyl]silane
CID 175051237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpentane-1-thiol?
The IUPAC name of 1-cyclopropylpentane-1-thiol (CID 173024263) is 1-cyclopropylpentane-1-thiol.
What is the SMILES notation for 1-cyclopropylpentane-1-thiol?
The canonical SMILES for 1-cyclopropylpentane-1-thiol is CCCCC(S)C1CC1.
What is the InChIKey of 1-cyclopropylpentane-1-thiol?
The InChIKey is ZZFRCKPECNEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-3-4-8(9)7-5-6-7/h7-9H,2-6H2,1H3.
What are the key properties of 1-cyclopropylpentane-1-thiol?
1-cyclopropylpentane-1-thiol has a molecular weight of 144.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpentane-1-thiol is sourced from PubChem (CID 173024263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).